data_5jol_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 5jol _Structure_validation_residue.Date_analyzed 2017-04-14 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 full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 ptt? . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.815 0.34 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.26 108.74 4.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.148 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.7 144.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.06 170.14 41.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.49 -56.79 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.86 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.3 m -51.79 140.98 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.176 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.99 168.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.64 -49.86 66.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -49.98 -60.42 2.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.523 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -59.98 -57.88 10.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.47 -44.0 0.62 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 17.3 tpp -68.51 -49.7 57.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -65.87 -60.59 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 8.3 mt -46.66 -48.99 19.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -44.38 95.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -51.24 -58.03 7.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.44 -55.09 37.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -41.11 -56.7 2.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.85 -46.29 60.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -55.45 -28.42 54.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -108.57 6.0 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.148 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -106.28 48.83 0.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.829 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.6 p -81.77 7.12 13.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -61.31 -16.22 43.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.17 12.53 60.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -113.42 -18.17 12.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.14 -20.56 28.33 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -117.66 145.28 44.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 110.92 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.9 pt -94.64 177.17 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.195 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.0 m -100.32 167.0 10.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.426 ' CE2' ' HB ' ' A' ' 54' ' ' THR . 1.8 m-85 -48.12 -57.99 5.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -53.06 -47.03 68.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -60.31 -39.54 87.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.0 tp -57.46 -63.54 1.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -47.96 -49.99 28.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.82 -34.82 75.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 tp -69.01 -36.68 78.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.458 ' HA ' HD21 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -61.59 -48.73 79.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.0 mtpt -75.5 -32.84 60.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.96 -27.04 64.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.06 11.32 16.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.7 t 51.34 55.54 9.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.458 HD21 ' HA ' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -90.29 161.27 37.84 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.702 0.763 . . . . 0.0 110.891 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -49.57 0.55 Allowed 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.659 2.24 . . . . 0.0 112.363 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mt -52.19 140.08 33.93 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.556 0.693 . . . . 0.0 111.02 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.454 ' CG ' ' HG3' ' A' ' 49' ' ' ARG . 53.2 Cg_endo -69.81 -166.63 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.67 2.247 . . . . 0.0 112.347 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.14 -42.01 9.02 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -67.74 -40.74 84.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 110.918 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.454 ' HG3' ' CG ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -51.39 -47.75 62.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.0 t -66.2 -58.47 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.59 -35.92 43.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.27 -55.34 9.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.944 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 22.4 mt -49.7 -41.05 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.214 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.426 ' HB ' ' CE2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -68.48 -61.93 1.62 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -27.06 22.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -87.1 -25.29 24.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.86 -62.07 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.956 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -13.86 61.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.974 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.25 -25.36 2.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.5 p -109.45 -57.89 2.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.206 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 172.56 42.13 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.03 -52.89 4.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.772 0.32 . . . . 0.0 110.791 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.732 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -95.8 27.76 3.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -68.09 -10.67 55.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.822 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -26.74 68.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -178.92 -29.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.69 -12.46 22.95 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.544 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -74.78 -168.78 0.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 58.9 mt -148.34 105.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.27 155.72 25.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -45.16 -38.41 5.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -54.36 -52.32 62.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.45 -46.68 83.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -52.91 -51.07 62.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.9 mm -57.59 -58.87 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.7 -27.48 28.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 32.8 mt -81.57 -36.53 14.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -68.21 -35.86 78.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -90.14 -34.4 15.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 57.98 49.49 74.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.512 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 mt -140.53 135.03 31.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.37 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.973 179.799 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.798 0.332 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.25 150.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -139.12 142.5 38.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.72 79.46 0.1 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -155.3 -169.63 3.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.943 0.401 . . . . 0.0 110.856 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.6 m -51.32 151.59 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.093 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.23 165.1 2.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.822 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.9 -48.45 67.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -51.13 -60.44 3.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.496 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -61.42 -58.15 9.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -37.03 -44.06 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.843 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.1 tpp -68.88 -52.09 33.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.34 -60.75 2.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 14.2 mt -45.99 -50.2 15.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -47.43 82.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.4 -61.4 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.92 -55.36 27.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.06 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -41.39 -55.3 2.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.28 -46.73 55.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -55.9 -26.29 46.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -110.0 6.2 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.124 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -86.53 81.15 8.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -56.14 -42.41 76.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.2 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -61.56 -25.99 67.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.816 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.53 4.43 45.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -114.46 21.43 14.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.925 0.393 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.4 29.73 29.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -126.24 135.22 51.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.907 0.384 . . . . 0.0 110.958 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.6 pt -134.59 144.45 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.165 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.2 t -78.81 166.93 21.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.478 ' CE1' ' HB ' ' A' ' 54' ' ' THR . 2.4 m-85 -46.4 -58.34 3.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -53.14 -46.71 68.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -60.06 -39.36 85.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.8 tp -57.99 -61.23 2.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -48.65 -46.9 40.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.69 -33.58 75.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.4 tp -70.76 -34.56 71.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -67.01 -39.26 87.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -83.53 -36.9 23.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.41 -30.48 70.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.85 9.87 20.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.5 m 51.47 54.36 11.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 mt -83.15 156.59 66.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.653 0.74 . . . . 0.0 110.816 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -48.56 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 mt -49.2 140.95 11.93 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.65 0.738 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -169.57 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.37 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.92 -40.76 10.2 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.541 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.5 p90 -67.72 -38.86 84.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.887 0.375 . . . . 0.0 110.913 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.93 -51.42 66.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 42.8 t -62.1 -60.2 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -41.71 60.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -67.24 -52.12 44.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 23.6 mt -51.26 -42.9 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.478 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -67.27 -62.2 1.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -25.66 21.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -87.42 -25.53 23.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 tp -65.76 -61.8 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -12.9 60.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.75 -25.82 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.106 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.7 p -108.51 -58.18 2.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 172.83 41.93 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.557 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.69 -53.32 4.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.857 0.361 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.743 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -96.05 26.83 3.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -62.71 -15.05 51.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -60.56 -31.4 70.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.1 -27.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.2 -10.87 20.04 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.465 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.48 -173.13 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 110.853 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 78.2 mt -145.99 108.33 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.214 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.58 155.21 27.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -46.19 -35.82 5.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -55.2 -55.29 32.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -54.54 -48.54 71.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -51.82 -52.25 50.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.8 mm -56.31 -54.25 30.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.116 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.6 tttp -49.9 -37.93 33.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 84.1 mt -72.66 -37.42 55.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.133 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -69.14 -26.23 64.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.23 -34.72 17.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 62.23 57.35 17.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.478 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.2 mt -138.22 121.45 16.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.973 0.416 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 179.837 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 mtt . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.832 0.349 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.84 126.36 5.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -172.39 178.17 2.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.05 147.72 41.07 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.462 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.1 p -174.69 -175.98 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 110.916 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.2 p -56.29 156.02 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.132 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.11 149.99 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.02 -55.96 17.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.17 -60.14 2.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.52 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -56.15 -56.07 25.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.844 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.08 -43.89 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 30.8 ttp -68.39 -46.97 68.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -68.18 -59.97 2.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 8.6 mt -46.93 -47.97 21.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.52 -46.38 90.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.54 -59.53 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.33 -53.68 53.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -41.57 -56.01 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.01 -46.36 61.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -55.38 -27.72 49.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -108.43 5.22 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -107.55 46.88 0.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.8 t -82.55 7.22 15.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -60.7 -17.0 45.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.43 11.94 72.51 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -113.17 -18.27 12.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.86 0.362 . . . . 0.0 110.836 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.49 -22.42 28.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.502 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -114.45 146.04 41.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.891 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.2 pt -94.48 175.83 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.9 t -100.84 164.65 11.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.458 ' CE1' ' HB ' ' A' ' 54' ' ' THR . 0.8 OUTLIER -45.57 -58.85 3.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -53.31 -46.82 69.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -59.01 -40.9 86.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.8 tp -56.01 -62.49 1.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.957 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -48.84 -46.38 42.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.4 -33.74 76.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 tp -67.2 -39.16 86.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.69 -48.48 76.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -68.69 -33.32 73.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.76 -26.33 54.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.44 -5.41 58.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.162 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.5 t 64.27 38.52 7.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.31 159.93 81.18 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.574 0.702 . . . . 0.0 110.936 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -32.51 18.7 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.654 2.236 . . . . 0.0 112.396 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mt -69.6 142.75 91.95 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.931 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.452 ' CG ' ' HG3' ' A' ' 49' ' ' ARG . 53.9 Cg_endo -69.75 -169.69 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.605 2.203 . . . . 0.0 112.36 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.24 -39.46 12.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.466 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -69.32 -36.94 77.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.92 0.39 . . . . 0.0 110.906 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.452 ' HG3' ' CG ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -55.56 -54.04 48.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.9 t -62.34 -51.74 68.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.09 -44.6 75.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.83 -46.82 67.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 23.1 mt -50.95 -43.49 25.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.052 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.458 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -72.31 -58.6 3.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.32 -34.1 31.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -87.49 -22.25 25.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.832 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.4 mt -63.49 -61.45 2.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.471 ' HA ' ' H ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -82.68 -8.17 59.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.864 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.35 -27.2 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 p -105.51 -57.63 2.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 172.88 44.41 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.578 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.471 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -90.95 -55.71 3.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.804 0.335 . . . . 0.0 110.828 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.723 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -94.74 17.3 13.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.08 -18.99 28.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -52.22 -32.4 36.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -171.05 -32.76 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.5 -15.79 19.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -73.41 -172.73 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.736 0.303 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 98.3 mt -148.29 104.69 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.08 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.26 154.97 25.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.776 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -46.05 -34.23 3.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -55.57 -56.38 20.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.91 -47.08 81.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.406 ' CD2' ' C ' ' A' ' 74' ' ' PHE . 10.9 t80 -52.89 -49.56 65.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 32.3 mm -58.15 -60.64 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -38.83 60.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.4 mt -65.63 -37.33 79.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.179 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -66.81 -53.31 34.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -34.64 75.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 89.86 -60.7 3.48 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.533 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.4 mp -136.59 106.2 6.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.87 0.367 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.4 pttp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.873 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.792 0.329 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.97 118.74 23.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.041 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -151.51 -175.99 5.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.74 171.23 0.33 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 m -141.97 155.75 45.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.948 0.404 . . . . 0.0 110.835 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.76 153.0 22.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.087 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.31 165.28 1.49 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.62 -47.75 66.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -52.51 -60.85 2.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.473 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -62.15 -59.39 5.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.824 -179.86 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -37.08 -44.03 0.51 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 34.8 tpp -68.97 -50.04 52.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -67.08 -61.22 2.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 10.4 mt -45.62 -47.68 14.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -46.68 87.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -50.52 -60.1 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.841 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.02 -55.54 33.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -41.13 -55.93 2.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.75 -46.85 59.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 mtmm -55.15 -28.38 52.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.58 5.43 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.116 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -109.48 46.59 0.99 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.0 t -81.94 5.37 19.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -62.34 -15.98 51.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.0 17.29 67.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -113.51 -19.45 11.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.941 0.4 . . . . 0.0 110.946 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.67 -23.28 24.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.473 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -116.02 151.45 35.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.857 0.361 . . . . 0.0 110.914 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.0 pt -104.66 152.91 6.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.1 t -72.78 164.16 27.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.493 ' CE2' ' HB ' ' A' ' 54' ' ' THR . 1.1 m-85 -47.98 -58.3 4.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -51.96 -45.38 64.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -59.54 -41.09 89.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.8 tp -56.68 -62.83 1.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -47.66 -47.65 29.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.84 -36.91 82.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.846 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.6 -41.99 95.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.977 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.405 ' HA ' ' HG ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -55.69 -55.19 35.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -69.6 -33.94 73.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.03 -28.93 68.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.101 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.433 ' HB1' ' CD2' ' A' ' 43' ' ' LEU . . . -95.78 18.71 12.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.2 t 51.73 57.23 6.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.433 ' CD2' ' HB1' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -81.43 152.24 69.99 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 110.894 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -45.49 1.59 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.342 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 mt -60.25 146.29 84.06 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.537 0.684 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.449 ' CG ' ' HG3' ' A' ' 49' ' ' ARG . 54.0 Cg_endo -69.76 -168.48 0.28 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.69 2.26 . . . . 0.0 112.328 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.06 -40.5 11.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -68.67 -36.75 78.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.909 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.449 ' HG3' ' CG ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -56.69 -52.1 66.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.843 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 40.9 t -62.5 -56.34 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.166 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.29 -39.4 66.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.812 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -69.78 -51.59 32.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 22.5 mt -50.23 -43.81 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.07 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.493 ' HB ' ' CE2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -68.45 -57.76 5.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.43 -28.65 31.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.81 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -87.19 -26.02 23.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 tp -63.52 -61.17 2.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.417 ' HB3' ' CB ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -73.0 -8.66 56.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.6 -24.72 1.43 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.3 t -108.73 -17.55 13.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.196 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 126.25 20.59 1.98 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.509 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.69 -53.9 40.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.781 0.324 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.741 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -93.78 -5.27 48.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -51.54 -22.25 3.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -47.06 -52.5 14.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.28 -26.87 0.99 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.78 -37.46 3.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.47 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.28 -172.47 2.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.844 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.2 mt -139.11 117.99 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.32 154.24 29.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -45.06 -38.84 5.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.82 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -53.11 -52.87 57.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -57.39 -43.1 83.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -56.24 -48.91 75.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.8 mm -59.79 -57.08 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.84 -33.96 51.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.933 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.8 mt -73.55 -39.3 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -64.52 -39.19 93.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.99 -34.57 38.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 57.37 22.44 44.57 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.478 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.3 pp -135.72 130.66 34.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.854 0.359 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 ttp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.811 0.339 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -172.09 176.52 3.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -174.44 136.59 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.26 75.84 0.22 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.9 m -158.39 -169.44 2.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.368 . . . . 0.0 110.883 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 m -50.25 153.08 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.72 172.73 7.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.77 -46.11 85.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -53.31 -60.22 3.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.541 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -64.0 -62.07 1.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.896 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 10' ' ' GLU . 1.2 tpp -37.28 -42.75 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 47.2 mmm -68.28 -50.31 54.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.36 -60.22 2.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 12.2 mt -46.04 -47.87 16.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -47.63 85.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -50.46 -60.06 3.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.08 -54.44 46.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -41.73 -55.65 2.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.22 -46.09 54.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -56.23 -26.35 50.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -109.21 5.8 9.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -84.85 79.64 9.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 53.7 p -55.74 -41.96 74.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.027 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.56 -25.83 67.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.07 3.81 46.3 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -114.17 21.74 14.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.76 30.31 29.75 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.572 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -125.42 138.72 54.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 0.0 110.916 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.7 pt -136.26 144.64 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.185 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.2 t -78.5 164.56 24.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.777 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.463 ' CE2' ' HB ' ' A' ' 54' ' ' THR . 1.3 m-85 -45.29 -58.22 3.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.833 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -53.79 -46.88 71.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.88 -40.16 83.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.0 tp -56.94 -63.82 1.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -47.32 -46.74 25.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.75 -37.78 87.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 tp -64.46 -40.71 96.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.412 ' HA ' ' HG ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -57.19 -55.43 34.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.822 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -69.13 -37.55 78.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.16 -31.29 71.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.442 ' HB1' ' CD2' ' A' ' 43' ' ' LEU . . . -94.16 18.37 10.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.5 t 51.53 59.0 4.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.442 ' CD2' ' HB1' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -82.31 152.22 67.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.599 0.714 . . . . 0.0 110.896 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.91 -46.88 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.654 2.236 . . . . 0.0 112.314 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 mt -57.59 146.25 65.83 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.631 0.729 . . . . 0.0 110.945 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.437 ' CG ' ' HG3' ' A' ' 49' ' ' ARG . 53.6 Cg_endo -69.83 -168.95 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.64 2.227 . . . . 0.0 112.334 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.8 -39.95 12.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.468 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -69.11 -36.85 77.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.974 0.416 . . . . 0.0 110.924 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.437 ' HG3' ' CG ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -56.17 -51.93 66.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.877 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.8 t -63.46 -56.49 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.74 -37.62 63.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -70.84 -52.97 17.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 22.8 mt -49.36 -40.3 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.463 ' HB ' ' CE2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -72.04 -58.3 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -33.82 38.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -87.55 -22.31 24.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 mt -63.39 -59.65 4.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.468 ' HA ' ' H ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -83.98 -8.2 59.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 179.767 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.41 -26.97 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.068 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.7 p -105.14 -58.03 1.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.175 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.19 44.76 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.468 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -91.99 -54.56 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 110.842 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.733 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -97.88 17.95 16.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.22 -18.03 33.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -50.75 -30.31 13.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -177.22 -26.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.12 -9.53 20.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.43 -178.89 6.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.809 0.338 . . . . 0.0 110.866 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 75.4 mt -143.45 108.4 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.58 155.8 29.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.811 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -47.32 -38.38 12.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -52.82 -54.17 38.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.42 -44.08 80.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.403 ' CD2' ' C ' ' A' ' 74' ' ' PHE . 10.6 t80 -56.52 -46.17 80.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.0 mm -59.86 -55.91 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.09 -40.13 63.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.961 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 24.7 mt -64.49 -44.33 96.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -62.88 -34.4 77.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.813 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.38 -35.17 63.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 60.23 55.43 30.21 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.6 mt -140.09 134.1 30.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.903 0.382 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 mtm . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.75 0.31 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.37 -173.57 3.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -102.62 -74.87 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.4 146.99 21.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -114.32 103.63 11.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.895 0.379 . . . . 0.0 110.798 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -164.89 152.8 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.06 147.45 15.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.29 -52.55 26.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.876 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -49.02 -59.75 3.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -57.43 -56.59 19.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.863 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.4 tpt -38.05 -44.5 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -68.34 -47.79 66.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -67.65 -60.9 2.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 8.2 mt -46.29 -48.05 18.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -47.39 86.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -49.89 -58.44 5.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.26 -54.48 43.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.048 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -41.39 -56.61 2.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.72 -46.25 58.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -55.67 -28.91 58.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.6 5.61 9.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.1 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -106.44 49.08 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.9 t -81.89 7.47 12.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -61.16 -16.57 45.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.31 11.93 60.07 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.544 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -113.37 -18.4 12.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.88 0.372 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.01 -14.89 33.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.499 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -123.26 145.02 49.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.355 . . . . 0.0 110.937 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.9 pt -95.21 177.01 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.1 t -99.83 166.99 10.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.467 ' CE2' ' HB ' ' A' ' 54' ' ' THR . 1.3 m-85 -47.21 -58.62 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -53.06 -46.01 68.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.938 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -59.21 -39.52 82.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.5 tp -57.78 -62.9 1.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -47.55 -48.27 27.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -36.6 82.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tp -65.18 -42.16 93.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.414 ' HA ' ' HG ' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -56.27 -54.41 45.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.0 mtpt -69.53 -38.0 77.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.951 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.16 -31.12 71.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.442 ' HB1' ' CD2' ' A' ' 43' ' ' LEU . . . -94.63 18.54 11.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.2 t 50.5 58.92 4.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.442 ' CD2' ' HB1' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -81.3 151.75 69.76 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.612 0.72 . . . . 0.0 110.929 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -46.77 1.11 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.673 2.248 . . . . 0.0 112.401 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 mt -57.29 145.37 67.29 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.654 0.74 . . . . 0.0 110.937 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.444 ' CG ' ' HG3' ' A' ' 49' ' ' ARG . 53.1 Cg_endo -69.85 -168.59 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.294 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.64 -42.79 9.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -66.29 -38.28 87.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.363 . . . . 0.0 110.946 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.444 ' HG3' ' CG ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -54.91 -58.79 6.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 45.8 t -56.36 -50.86 69.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -56.88 14.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -45.61 80.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.4 mt -52.74 -47.9 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.467 ' HB ' ' CE2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -67.16 -59.6 3.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -28.6 22.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -87.25 -24.76 24.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 tp -64.28 -61.69 2.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -13.49 60.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.99 -25.13 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.2 p -108.73 -57.93 2.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 172.21 43.32 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.502 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.87 -53.46 4.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.812 0.339 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.746 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -96.04 16.24 18.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -52.37 -22.33 4.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.816 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -49.74 -32.52 13.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -176.65 -29.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.46 -1.84 22.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.503 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.1 mmt-85 -83.38 -169.19 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 80.3 mt -148.59 105.27 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.05 154.16 25.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -46.12 -35.0 4.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -56.97 -53.98 51.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -57.98 -45.87 86.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -52.85 -51.11 62.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 34.1 mm -57.66 -58.21 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.54 -32.6 28.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.2 mt -73.31 -39.01 55.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -65.5 -37.71 87.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.23 -34.51 37.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.8 -56.37 2.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.542 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.04 177.63 7.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.827 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.839 0.352 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.13 -75.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? 55.56 74.34 0.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.66 99.04 1.53 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.522 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 p -177.45 -176.09 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.963 0.411 . . . . 0.0 110.872 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.6 m -51.15 146.1 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.1 171.88 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.813 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.98 -48.52 73.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.929 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.33 -60.16 3.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.571 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -60.87 -61.76 2.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 10' ' ' GLU . 2.8 tpt -37.43 -42.37 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.99 -48.67 65.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.925 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -67.55 -59.29 3.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 5.6 mt -47.57 -48.36 28.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -45.94 91.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -50.24 -60.43 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.64 -55.04 40.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -41.14 -56.09 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.95 -46.34 61.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -55.21 -28.69 54.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.55 5.37 9.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -105.3 50.7 0.77 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.0 p -81.45 6.64 14.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -61.59 -16.51 48.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.23 12.1 57.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -113.65 -17.37 12.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 0.0 110.867 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.62 -21.01 26.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.488 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -116.21 145.0 43.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 0.0 110.883 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.9 pt -94.59 177.34 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.154 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.3 t -98.94 161.47 13.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.445 ' CZ ' ' CD2' ' A' ' 63' ' ' LEU . 9.6 m-85 -45.34 -55.23 6.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -55.17 -45.54 75.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.33 -39.33 90.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.0 tp -57.65 -62.73 1.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -49.64 -47.54 49.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -63.18 -33.61 75.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tp -68.66 -36.32 78.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.47 ' HA ' HD22 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -63.99 -53.22 53.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -66.38 -42.71 87.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.92 -20.9 65.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.46 5.64 30.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.9 t 56.16 26.38 10.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -62.84 158.84 49.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.583 0.706 . . . . 0.0 110.929 -179.892 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -48.22 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.389 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mt -49.27 139.51 13.68 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.566 0.698 . . . . 0.0 110.965 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.444 ' CG ' ' HG3' ' A' ' 49' ' ' ARG . 53.3 Cg_endo -69.84 -169.54 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.647 2.232 . . . . 0.0 112.311 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.8 -40.33 12.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -68.32 -36.48 79.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.846 0.355 . . . . 0.0 110.967 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.444 ' HG3' ' CG ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -55.94 -49.05 74.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.913 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 37.8 t -64.66 -57.64 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.06 -42.1 65.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -65.82 -51.19 61.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.1 mt -50.61 -35.96 13.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.123 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -56.58 5.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.15 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -33.75 31.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -85.53 -30.59 23.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.1 mt -62.47 -64.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -12.86 48.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.81 -25.45 1.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.0 p -122.79 51.11 1.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.153 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 50.7 48.95 42.31 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.416 ' C ' HD13 ' A' ' 63' ' ' LEU . 1.5 m-20 -95.55 -53.59 3.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.349 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.75 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -97.4 9.54 42.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -89.58 -14.25 35.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -50.43 -34.67 25.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.59 1.27 1.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.81 5.4 64.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.1 mmt85 -123.41 -167.62 1.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.845 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 24.4 mt -144.92 111.94 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.112 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.81 156.02 27.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -48.21 -33.93 9.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -54.8 -56.38 19.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -55.24 -43.15 74.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -55.45 -51.74 65.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.0 mm -56.59 -57.51 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -50.91 -37.97 47.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 22.4 mt -65.66 -52.2 53.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.095 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -59.86 -52.12 66.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.39 -35.02 73.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 55.91 34.24 61.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.456 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.0 mt -138.01 125.17 21.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.34 . . . . 0.0 110.954 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.3 mttp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.852 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.782 0.325 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.75 163.68 31.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.068 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.73 154.04 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.72 72.47 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.492 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -134.06 -66.74 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.361 . . . . 0.0 110.866 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.82 153.21 8.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.26 153.93 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.82 -56.62 15.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -47.43 -60.27 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.542 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.05 -54.39 45.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.889 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.3 -45.06 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.6 mtp -67.75 -46.62 71.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.71 -60.49 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.825 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 7.8 mt -46.95 -47.31 21.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -46.43 90.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.72 -58.06 6.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.41 -55.09 39.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -41.7 -55.55 2.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.08 -46.34 53.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.035 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -56.19 -26.35 50.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -110.17 6.29 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.068 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -86.96 79.66 8.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 t -55.86 -41.38 74.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -62.12 -26.22 68.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.12 4.32 48.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -114.02 22.24 14.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.943 0.401 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.81 31.47 32.49 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.463 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -126.47 137.34 53.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.861 0.363 . . . . 0.0 110.937 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.9 pt -136.32 150.84 27.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.8 t -83.28 164.85 19.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.481 ' CE2' ' HB ' ' A' ' 54' ' ' THR . 1.9 m-85 -45.51 -57.41 4.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -54.02 -46.72 71.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.73 -39.0 83.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.9 tp -57.53 -63.69 1.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -47.79 -48.44 30.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -62.13 -36.3 81.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.849 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tp -68.62 -36.39 78.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.455 ' HA ' HD21 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -61.98 -49.03 77.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt -74.55 -37.85 62.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.69 -28.39 69.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.0 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.48 10.69 16.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.075 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.0 t 51.05 54.92 10.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.827 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.455 HD21 ' HA ' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -88.66 161.39 42.09 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.635 0.731 . . . . 0.0 110.916 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -49.47 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.686 2.257 . . . . 0.0 112.364 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mt -52.0 140.35 31.35 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.637 0.732 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.409 ' CG ' ' HG3' ' A' ' 49' ' ' ARG . 53.3 Cg_endo -69.79 -167.72 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.247 . . . . 0.0 112.277 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.58 -41.18 9.17 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.435 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -67.88 -40.61 83.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.9 0.381 . . . . 0.0 110.955 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.409 ' HG3' ' CG ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -52.92 -47.44 68.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 40.3 t -65.87 -57.2 11.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.74 -43.16 62.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.56 -53.83 41.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.6 mt -48.75 -41.39 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.068 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.481 ' HB ' ' CE2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -67.83 -60.76 2.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.17 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.64 -26.88 24.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -86.93 -25.33 24.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.43 -61.93 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.95 -13.02 60.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.86 -25.49 1.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.4 p -108.99 -58.04 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.165 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 172.82 42.48 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.42 -53.36 4.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 110.816 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.74 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -95.9 29.37 2.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -68.65 -10.33 55.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.808 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -26.87 67.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.79 -28.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.95 -13.78 21.92 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.508 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 49.2 mtm180 -72.13 -169.83 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 110.842 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 86.7 mt -146.75 105.89 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.25 155.61 28.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -47.65 -34.59 8.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -57.26 -52.65 64.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -57.66 -48.07 80.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -52.97 -50.58 63.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.793 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 30.4 mm -56.26 -60.47 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -53.34 -32.21 48.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.5 mt -72.41 -40.95 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.135 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -64.91 -41.42 95.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -34.76 62.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 55.93 44.15 87.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.515 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 mt -140.48 129.86 23.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.845 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.829 0.347 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.64 -69.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -96.19 -172.54 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.67 149.06 9.77 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.544 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.19 -57.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.922 0.392 . . . . 0.0 110.858 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.4 m -51.11 152.26 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.156 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 26.6 p -60.88 166.42 3.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.778 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.97 -48.72 67.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.85 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -50.96 -60.64 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -61.28 -58.53 7.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -36.89 -44.14 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.0 mmt -68.99 -51.64 37.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.82 -60.79 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 12.1 mt -46.08 -48.87 17.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -42.74 95.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.98 -53.23 58.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.2 -56.93 12.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -41.25 -55.27 2.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.8 -46.72 59.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.058 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -55.32 -28.31 52.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.12 5.17 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.104 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -110.25 45.45 1.12 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.2 t -83.16 7.06 17.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.03 -21.5 61.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.802 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.65 12.47 84.45 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.503 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -113.61 -19.63 11.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.88 0.371 . . . . 0.0 110.856 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.45 -32.62 6.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.539 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -107.78 145.34 33.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.856 0.36 . . . . 0.0 110.945 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.4 pt -94.59 177.92 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.145 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.0 t -99.22 164.83 11.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.45 ' CE2' ' HB ' ' A' ' 54' ' ' THR . 2.1 m-85 -46.09 -58.74 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -52.19 -46.5 65.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.05 -40.77 90.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.817 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.1 tp -56.77 -62.47 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -48.66 -48.62 39.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -60.69 -33.6 73.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tp -71.22 -34.1 70.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.07 -38.05 85.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -85.49 -32.11 22.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.25 -27.51 62.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.0 12.5 15.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.059 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 94.2 m 50.32 48.93 21.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.0 mt -80.38 156.91 73.41 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.699 0.762 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.73 -48.6 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.281 . . . . 0.0 112.309 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 mt -48.5 140.15 10.41 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.606 0.717 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.433 ' CG ' ' HG3' ' A' ' 49' ' ' ARG . 52.9 Cg_endo -69.85 -169.72 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.683 2.255 . . . . 0.0 112.229 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.97 -39.92 11.11 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -68.64 -39.14 80.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.433 ' HG3' ' CG ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -53.5 -49.95 66.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.2 t -65.34 -60.7 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.133 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.97 -37.05 30.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -72.42 -54.65 8.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.0 mt -48.65 -39.11 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.45 ' HB ' ' CE2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -72.61 -59.27 2.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.81 -33.58 36.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -87.74 -22.08 24.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.4 mt -62.87 -62.1 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.69 -12.45 60.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.44 -26.0 1.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.116 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.6 p -105.84 -58.33 1.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 171.64 43.08 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.3 -53.11 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.798 0.332 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.736 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -95.89 31.73 2.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -69.7 -8.89 51.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.83 -25.43 66.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.77 -28.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.42 -10.21 22.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -79.46 -168.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.733 0.301 . . . . 0.0 110.907 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.1 mt -146.74 113.61 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.69 156.55 22.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.802 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -45.59 -36.97 5.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -54.59 -56.34 19.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.785 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -53.91 -47.73 70.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -51.55 -52.29 48.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.0 mm -56.48 -53.1 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.181 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -49.64 -38.26 31.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 33.6 mt -72.97 -38.05 55.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -69.2 -24.44 64.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.815 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.36 -34.72 15.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.27 54.26 37.02 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.7 mt -140.43 129.74 23.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.861 0.362 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.799 179.878 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 mmt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.775 0.321 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.76 -176.86 3.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.9 mtp85 -74.69 -73.74 0.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.98 177.87 15.78 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.24 -53.87 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.925 0.393 . . . . 0.0 110.888 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.3 m -53.52 144.68 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.18 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.0 176.25 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.95 -47.02 86.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -54.03 -59.44 4.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.797 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.562 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -61.66 -61.16 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -37.87 -42.38 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.808 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.3 tpt -68.25 -47.69 67.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.42 -59.56 3.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 6.0 mt -47.57 -46.48 28.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.19 -46.2 89.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -50.57 -57.89 7.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.93 -54.03 50.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -41.01 -57.38 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.44 -45.97 56.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -55.92 -28.92 59.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.79 5.73 9.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -105.64 50.11 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.14 7.31 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -61.16 -16.71 47.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.09 11.68 59.07 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.555 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -113.38 -17.61 12.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.379 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.48 -19.01 29.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.471 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -118.55 146.15 44.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 110.919 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.2 pt -94.53 176.98 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.173 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.408 ' HB3' ' HG3' ' A' ' 33' ' ' GLU . 34.3 t -99.63 165.28 11.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.462 ' CE2' ' HB ' ' A' ' 54' ' ' THR . 1.0 OUTLIER -46.64 -58.32 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -53.95 -45.7 71.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.408 ' HG3' ' HB3' ' A' ' 30' ' ' SER . 54.4 mt-10 -59.92 -39.42 85.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.4 tp -57.91 -63.13 1.36 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.86 -47.78 31.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.4 -35.93 80.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 tp -68.31 -35.62 78.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.471 ' HA ' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -62.94 -48.73 77.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -75.51 -31.98 60.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.0 -26.25 63.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.56 12.17 17.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 89.5 m 50.0 54.06 11.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -86.98 162.29 44.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.652 0.739 . . . . 0.0 110.904 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -49.3 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.681 2.254 . . . . 0.0 112.325 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mt -53.35 140.97 43.99 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.56 0.695 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.454 ' CG ' ' HG3' ' A' ' 49' ' ' ARG . 53.6 Cg_endo -69.78 -168.36 0.27 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.88 -40.59 10.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -68.41 -39.12 81.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.454 ' HG3' ' CG ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -53.24 -47.83 68.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.932 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.9 t -67.06 -52.69 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.33 -45.87 69.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -66.92 -49.01 66.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.5 mt -50.45 -43.74 23.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.462 ' HB ' ' CE2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -71.88 -58.51 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -34.63 32.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -87.18 -22.12 25.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 mt -63.85 -60.01 3.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.487 ' HA ' ' H ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -83.97 -7.48 59.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 179.824 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.14 -26.65 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.102 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.5 p -106.46 -57.5 2.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.04 45.76 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.481 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.487 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -92.96 -55.48 3.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.892 0.377 . . . . 0.0 110.867 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.723 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -95.72 -4.27 44.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -50.44 -23.81 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -49.83 -33.32 16.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -152.89 -39.87 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.11 -13.13 21.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.5 -167.84 1.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 0.0 110.879 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.5 mt -147.0 106.14 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.205 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.15 153.3 30.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.813 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -45.92 -36.3 5.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -54.4 -53.72 50.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.64 -46.53 84.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -51.55 -52.95 42.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 47.1 mm -56.83 -57.69 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -53.76 -31.0 46.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.7 mt -76.01 -45.56 36.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -61.79 -37.41 84.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.55 -34.88 30.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 58.05 42.46 95.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.52 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 mt -140.12 134.55 31.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.877 0.37 . . . . 0.0 110.925 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.807 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ttp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.808 0.337 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.06 144.42 21.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.071 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -108.82 -62.01 1.53 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.86 -26.58 26.5 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.451 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 51.57 52.57 14.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.868 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.1 m -50.85 152.09 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.191 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.77 164.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.85 -48.76 66.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.805 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -60.35 3.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.5 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -61.4 -59.2 5.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -36.77 -44.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.94 -51.91 34.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -64.67 -60.89 2.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 13.3 mt -45.9 -49.24 15.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -44.58 91.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.61 -52.8 58.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.16 -55.37 22.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -41.44 -55.58 2.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.26 -46.28 62.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -55.68 -28.45 55.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.941 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -108.22 6.06 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -103.24 46.01 0.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.6 t -82.62 5.93 19.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.14 -15.93 49.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.821 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.23 12.13 57.33 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.511 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -113.12 -16.43 12.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.873 0.368 . . . . 0.0 110.899 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.15 -15.36 33.3 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.448 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.404 ' HA ' ' HA ' ' A' ' 70' ' ' SER . 0.0 OUTLIER -116.89 175.87 5.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.856 0.36 . . . . 0.0 110.868 -179.769 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.1 pt -129.84 136.67 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.112 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.4 t -57.78 164.6 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.451 ' CE2' ' HB ' ' A' ' 54' ' ' THR . 2.1 m-85 -48.78 -58.98 3.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -50.31 -48.03 55.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.18 -43.41 78.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 tp -56.14 -60.15 3.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -48.58 -47.46 39.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -62.12 -33.92 75.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 tp -69.89 -34.46 73.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -67.17 -40.08 86.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -81.87 -39.29 24.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.99 -31.04 72.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.45 9.36 21.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.063 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.0 t 52.11 53.15 12.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.983 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mt -82.92 156.51 67.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.576 0.703 . . . . 0.0 110.916 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -49.14 0.59 Allowed 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.727 2.284 . . . . 0.0 112.311 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 mt -48.88 141.09 10.61 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.647 0.737 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.441 ' CG ' ' HG3' ' A' ' 49' ' ' ARG . 54.4 Cg_endo -69.67 -169.45 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.702 2.268 . . . . 0.0 112.358 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.18 -41.19 10.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -67.62 -38.42 83.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 0.0 110.911 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.441 ' HG3' ' CG ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -53.9 -49.22 69.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 23.7 t -65.73 -59.46 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.98 -36.79 40.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -71.65 -54.85 9.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.9 mt -48.97 -39.29 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.185 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.451 ' HB ' ' CE2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -72.03 -58.4 3.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.61 -33.03 44.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -87.62 -22.79 24.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 mt -64.77 -60.06 3.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.452 ' HA ' ' H ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -83.11 -7.83 59.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.804 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.31 -27.31 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.3 p -105.32 -58.66 1.86 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.96 43.48 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.451 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.452 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -90.11 -54.01 4.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.827 0.346 . . . . 0.0 110.86 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.727 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -99.54 13.83 32.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.83 -21.78 4.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -50.78 -32.54 20.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.45 -32.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.47 4.9 17.15 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.466 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 -96.41 -175.51 3.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.796 0.332 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.9 mp -138.23 113.53 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 28' ' ' TYR . 1.5 m -78.02 153.42 32.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -43.85 -36.33 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -57.33 -51.06 70.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -49.09 79.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -52.15 -52.25 52.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.6 mm -56.42 -56.95 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.105 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -49.72 -33.84 17.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 25.9 mt -75.45 -40.74 42.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -64.76 -29.89 70.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -88.58 -34.69 17.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 68.48 57.41 8.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.461 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.56 107.85 20.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.2 mttt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.825 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 ttp . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.821 0.343 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.98 105.9 3.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -175.89 160.83 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.06 -172.02 38.97 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.532 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -146.8 -46.06 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.381 . . . . 0.0 110.828 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.0 m -56.56 147.57 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.13 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.93 178.01 0.88 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.883 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -49.07 79.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -52.1 -60.26 3.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.581 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -61.13 -61.61 2.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.855 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.4 tpt -37.65 -42.1 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 12.9 ttt -68.23 -47.95 66.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -68.17 -59.13 3.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.843 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 5.1 mt -47.82 -47.18 31.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -47.35 86.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -49.7 -59.5 3.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.22 -54.69 44.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -41.06 -56.54 2.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.86 -46.31 60.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -55.42 -28.61 55.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -108.12 5.78 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -105.29 50.82 0.77 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 t -81.82 6.82 14.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -61.02 -17.14 50.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.68 11.61 57.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -113.41 -16.74 12.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.889 0.376 . . . . 0.0 110.952 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.06 -19.24 30.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.47 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -118.4 145.68 45.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.848 0.356 . . . . 0.0 110.932 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.7 pt -94.59 176.44 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 65.4 m -98.82 164.58 12.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.466 ' CE1' ' HB ' ' A' ' 54' ' ' THR . 0.8 OUTLIER -46.55 -58.03 4.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.828 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -53.78 -45.97 70.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -59.61 -41.03 89.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.8 tp -56.5 -62.72 1.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.954 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -47.49 -51.09 21.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.89 -37.13 78.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 tp -64.5 -35.6 81.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.979 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.513 ' HA ' HD21 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -65.71 -43.7 88.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -69.79 -54.52 13.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.65 -21.99 55.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.088 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.87 1.64 38.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.063 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.6 t 55.87 28.8 13.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.513 HD21 ' HA ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -64.98 161.82 43.91 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.586 0.708 . . . . 0.0 110.902 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -50.6 0.45 Allowed 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.725 2.283 . . . . 0.0 112.339 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mt -51.44 140.55 25.2 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.573 0.702 . . . . 0.0 110.984 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.446 ' CG ' ' HG3' ' A' ' 49' ' ' ARG . 53.5 Cg_endo -69.65 -167.89 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.716 2.278 . . . . 0.0 112.355 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.23 -39.86 10.84 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.512 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -69.54 -38.9 77.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.446 ' HG3' ' CG ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -54.53 -47.72 72.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.802 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.2 t -67.33 -57.93 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.3 -37.37 55.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -71.75 -53.44 13.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.6 mt -48.41 -40.62 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.466 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -72.4 -57.67 4.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -34.56 41.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -87.35 -21.98 25.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.4 mt -63.87 -60.01 3.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.479 ' HA ' ' H ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -84.03 -7.16 59.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.51 -26.22 0.83 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.074 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 p -106.62 -57.61 2.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.16 45.2 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.479 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -92.37 -55.52 3.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.864 0.364 . . . . 0.0 110.845 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.724 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -95.69 -3.74 45.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.67 -23.42 2.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -50.14 -33.53 19.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.26 -39.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.21 -18.09 18.74 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.99 -168.26 2.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.768 0.318 . . . . 0.0 110.924 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.9 mt -147.44 105.99 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.161 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.43 153.94 29.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.79 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -46.39 -35.47 5.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -55.13 -53.14 59.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.84 -43.91 90.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -54.32 -51.44 64.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.6 mm -58.21 -55.96 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -53.05 -33.62 52.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.7 mt -73.02 -44.61 56.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.138 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -66.14 -46.41 77.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -70.52 -34.7 72.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.33 -19.7 48.42 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.555 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 mt -130.48 128.37 41.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.933 0.397 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.798 0.333 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.08 -75.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.115 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 53.69 70.36 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.87 28.08 4.47 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.4 m -89.75 -70.97 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.96 0.41 . . . . 0.0 110.895 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -91.37 148.94 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.15 153.69 1.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.71 -54.44 37.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.968 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -48.23 -60.24 2.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.504 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.95 -55.14 38.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.884 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.72 -43.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.3 mmt -68.65 -47.94 65.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.83 -60.78 2.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.869 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 8.2 mt -46.7 -49.26 19.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -44.03 98.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.946 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -50.5 -60.17 3.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.04 -54.26 48.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.059 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -41.2 -56.19 2.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.83 -46.61 60.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -55.37 -27.77 49.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -108.4 5.46 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -107.03 49.4 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.1 p -81.5 6.32 15.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -61.99 -16.03 48.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.94 14.02 60.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.451 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -113.38 -18.38 12.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.939 0.4 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.8 -19.48 30.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.426 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -118.71 144.75 46.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.928 0.394 . . . . 0.0 110.882 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.7 pt -94.51 176.21 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.149 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.2 t -97.29 161.83 13.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.459 ' CZ ' ' CD2' ' A' ' 63' ' ' LEU . 5.5 m-85 -45.39 -56.12 5.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -54.57 -45.63 73.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.958 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.46 -39.16 89.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.7 tp -56.9 -63.34 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -49.69 -48.21 49.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -61.08 -37.82 84.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.31 -40.97 96.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.414 ' HA ' ' HG ' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -55.82 -54.69 41.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -71.2 -35.15 71.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.63 -30.11 71.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.435 ' HB1' ' CD2' ' A' ' 43' ' ' LEU . . . -93.92 20.56 7.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.06 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 t 49.5 58.62 5.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.435 ' CD2' ' HB1' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -79.21 148.39 70.97 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.654 0.74 . . . . 0.0 110.874 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -38.39 7.78 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.245 . . . . 0.0 112.362 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 mt -60.99 144.76 90.26 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.574 0.702 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 -169.89 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.656 2.238 . . . . 0.0 112.367 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.82 -40.81 11.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -67.84 -36.55 80.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.874 0.369 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.76 -53.99 52.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 70.2 t -59.42 -54.31 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.2 -48.09 74.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -62.15 -49.27 76.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.1 mt -51.26 -37.42 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.092 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -58.29 3.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.199 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.36 -36.53 61.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -79.66 -31.52 41.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.5 mt -63.02 -65.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -11.62 31.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.5 -24.12 1.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.8 t -120.21 35.79 4.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.187 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.76 32.55 83.29 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.406 ' C ' HD11 ' A' ' 63' ' ' LEU . 80.6 m-20 -76.71 -53.79 7.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.752 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -96.02 0.28 51.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.963 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -84.39 -16.89 41.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.804 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -49.02 -49.8 39.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.945 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.27 -14.77 8.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.82 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.97 -36.61 3.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.506 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -93.16 -166.85 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.727 0.299 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 30.1 mt -141.92 113.4 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.33 155.84 28.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -48.52 -33.56 9.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -53.84 -57.15 11.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.51 -46.38 73.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 10.6 t80 -53.35 -47.75 69.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 32.0 mm -60.52 -58.88 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -49.17 -34.33 14.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 24.6 mt -71.99 -46.46 59.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -56.64 -40.28 75.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.94 -34.66 44.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 68.51 57.11 8.54 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.36 101.41 12.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.857 0.36 . . . . 0.0 110.95 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 179.905 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.82 0.343 . . . . 0.0 110.824 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.23 -172.84 3.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 39.2 42.53 0.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.79 85.16 0.24 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.446 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.4 p -178.28 -175.24 0.45 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.005 0.431 . . . . 0.0 110.826 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.9 m -50.75 147.6 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.189 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.31 173.41 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.5 -48.52 80.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -52.33 -60.51 3.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.568 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -61.41 -61.18 2.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -37.3 -42.43 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.4 mtp -68.19 -48.68 64.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -68.31 -59.48 3.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 7.7 mt -46.77 -47.12 20.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -47.42 84.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.788 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -50.05 -59.49 3.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.7 -55.1 39.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -41.76 -55.37 3.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.22 -46.14 54.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 mtmm -56.15 -27.07 52.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -109.11 6.26 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.116 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -86.37 79.9 8.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.6 t -55.86 -41.4 74.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.195 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.87 -26.06 67.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.03 3.78 45.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.476 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -114.08 22.15 14.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.848 0.356 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.74 30.71 31.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.463 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -125.81 137.75 53.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.925 0.393 . . . . 0.0 110.892 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.3 pt -136.54 147.57 27.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.2 t -80.53 163.89 23.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.467 ' CE1' ' HB ' ' A' ' 54' ' ' THR . 1.3 m-85 -45.25 -57.02 4.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -54.28 -47.67 72.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -58.43 -40.34 82.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.813 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 tp -56.9 -62.79 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -47.86 -46.62 31.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -63.92 -34.73 78.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 tp -68.53 -35.57 77.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.488 ' HA ' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -65.01 -53.47 45.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -64.84 -47.99 75.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.36 -20.64 64.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.61 3.94 38.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.3 t 57.21 28.16 14.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -65.91 160.19 64.42 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.607 0.718 . . . . 0.0 110.925 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -49.3 0.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.74 2.293 . . . . 0.0 112.341 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mt -50.92 140.59 20.19 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.607 0.718 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.402 ' CG ' ' HG3' ' A' ' 49' ' ' ARG . 53.6 Cg_endo -69.82 -168.07 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.647 2.232 . . . . 0.0 112.372 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.68 -39.73 10.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.518 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -69.28 -39.52 78.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.792 0.33 . . . . 0.0 110.906 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.402 ' HG3' ' CG ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -54.06 -47.83 71.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.3 t -66.67 -56.04 15.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.172 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -39.92 63.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -69.0 -52.58 27.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.5 mt -49.07 -40.92 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.091 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.467 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -71.95 -57.88 3.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.7 -34.82 40.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.833 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -87.07 -21.69 25.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.4 mt -63.51 -60.05 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.468 ' HA ' ' H ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -83.8 -8.05 59.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.864 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.53 -26.65 0.92 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.7 p -105.59 -58.1 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.149 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.37 45.0 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.449 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.468 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -92.15 -54.97 3.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 0.0 110.887 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.732 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -96.42 17.36 16.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.958 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -59.75 -17.77 37.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -51.32 -30.75 19.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -174.55 -29.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.28 -11.17 19.72 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.09 -175.28 4.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.768 0.318 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 89.1 mt -144.96 107.55 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.43 155.57 28.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -47.43 -39.31 15.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -52.23 -52.73 50.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.78 -47.35 82.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -52.07 -50.73 60.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.7 mm -58.05 -59.33 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -32.91 22.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.2 mt -71.92 -43.47 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -65.5 -51.12 62.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.65 -34.38 76.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.23 42.05 87.66 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.559 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 mt -140.94 128.07 20.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 110.901 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mmt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.789 0.328 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -175.5 -177.9 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -97.29 -72.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.41 169.86 14.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.543 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.98 -49.22 0.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.928 0.394 . . . . 0.0 110.894 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.1 m -50.99 159.24 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.133 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.65 167.59 16.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.59 -48.55 66.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -52.07 -60.55 3.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.502 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -61.09 -59.31 5.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.854 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.39 -43.91 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.2 ttt -68.72 -49.64 57.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.16 -61.02 2.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.95 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 12.3 mt -45.98 -47.62 16.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.966 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -45.17 89.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.789 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -50.43 -59.8 3.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.21 -54.78 39.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.467 ' HA ' HG23 ' A' ' 21' ' ' VAL . 20.7 t80 -42.1 -36.09 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.69 -53.13 59.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -21.71 24.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.467 HG23 ' HA ' ' A' ' 18' ' ' PHE . 0.1 OUTLIER -108.57 3.93 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.905 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -113.7 46.22 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.8 p -83.06 5.81 21.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -62.2 -15.66 47.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.88 10.17 60.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.439 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -107.69 -19.4 13.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.36 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.51 -17.4 36.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.48 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -120.37 151.97 38.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.852 0.358 . . . . 0.0 110.966 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.42 HG21 ' CE1' ' A' ' 18' ' ' PHE . 12.5 pt -102.79 177.68 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.9 t -99.76 162.96 12.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.445 ' CE2' ' HB ' ' A' ' 54' ' ' THR . 1.4 m-85 -44.45 -57.93 3.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -53.05 -46.78 68.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.51 -41.32 85.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.9 tp -55.75 -62.38 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -48.16 -45.96 34.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -62.63 -37.44 86.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.943 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 tp -64.66 -42.0 95.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.454 ' HA ' ' HG ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -56.81 -54.0 51.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.01 -35.12 74.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.77 -30.37 71.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.025 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.44 ' HB1' ' CD2' ' A' ' 43' ' ' LEU . . . -95.98 18.34 13.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.067 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.5 t 50.6 58.49 5.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.454 ' HG ' ' HA ' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -80.02 151.28 73.0 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.596 0.712 . . . . 0.0 110.878 -179.867 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -46.9 1.06 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.738 2.292 . . . . 0.0 112.356 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mt -57.03 145.52 64.59 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.624 0.725 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.409 ' CG ' ' HG3' ' A' ' 49' ' ' ARG . 53.8 Cg_endo -69.76 -167.89 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.71 -41.26 9.93 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -68.21 -37.82 81.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.368 . . . . 0.0 110.945 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.409 ' HG3' ' CG ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -57.13 -51.34 69.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.23 -55.67 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -39.17 70.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -68.23 -50.98 50.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 22.2 mt -51.74 -44.7 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.445 ' HB ' ' CE2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -66.64 -60.53 2.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.16 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.74 -27.36 28.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -87.05 -25.02 24.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 tp -64.98 -61.79 1.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.43 -13.88 60.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.97 -25.39 1.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.5 p -108.55 -58.27 2.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 172.61 42.88 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.508 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.21 -53.33 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.742 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -95.73 24.59 5.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -56.85 -20.19 21.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -51.57 -32.92 30.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.03 -25.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.21 -6.93 21.26 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.445 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -75.45 -170.0 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.787 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 76.8 mt -148.87 104.81 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.105 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.4 151.43 27.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -43.87 -38.57 3.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.5 -54.29 39.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -58.14 -44.86 88.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -53.13 -50.82 63.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.4 mm -58.91 -56.48 16.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.49 -30.86 43.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.913 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 25.1 mt -74.94 -40.88 46.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.087 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -63.52 -40.24 96.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.62 -34.82 40.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 55.79 57.39 19.12 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.438 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.11 130.89 53.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.35 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.7 mttt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.823 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tpt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.815 0.34 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -171.16 178.43 3.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -142.69 169.36 17.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.19 179.68 38.91 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.2 m -104.1 70.44 0.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -128.78 150.05 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.167 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.93 149.04 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.813 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.17 -56.72 11.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -47.81 -58.92 3.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.556 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -55.79 -56.98 14.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.839 -179.872 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 11.5 tpt -37.87 -44.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -68.19 -45.54 73.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -68.9 -59.92 2.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 6.7 mt -47.11 -49.07 22.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -43.81 98.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.35 -53.19 30.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.26 -54.25 22.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.465 ' HA ' HG21 ' A' ' 21' ' ' VAL . 24.6 t80 -41.64 -36.57 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.46 -53.22 58.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -21.41 22.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.465 HG21 ' HA ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -108.73 2.74 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.221 179.739 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -110.61 47.85 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 56.2 p -81.33 5.65 16.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.42 -15.78 51.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.86 16.35 61.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.467 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -113.45 -18.58 11.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.26 -22.87 24.15 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.505 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -114.8 149.85 36.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 0.0 110.863 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.6 pt -98.76 177.85 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.162 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.2 t -100.39 161.97 13.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.441 ' CZ ' ' CD2' ' A' ' 63' ' ' LEU . 12.8 m-85 -47.0 -55.8 7.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -53.81 -47.25 71.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.05 -39.61 90.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.7 tp -56.02 -61.68 2.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -50.85 -47.15 60.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -61.78 -35.92 79.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.812 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.5 tp -67.38 -36.14 80.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.448 ' HA ' HD22 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -63.07 -47.23 83.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.891 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -77.22 -31.65 55.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.29 -27.59 62.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.144 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.62 11.15 15.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.077 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.7 m 49.58 52.93 13.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -84.73 160.66 55.48 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.619 0.724 . . . . 0.0 110.923 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -48.47 0.72 Allowed 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.733 2.289 . . . . 0.0 112.4 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mt -50.55 139.51 20.4 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.557 0.694 . . . . 0.0 110.946 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.429 ' CG ' ' HG3' ' A' ' 49' ' ' ARG . 54.7 Cg_endo -69.66 -170.28 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.736 2.29 . . . . 0.0 112.375 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.7 -40.46 12.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.422 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -67.78 -35.82 79.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.946 0.403 . . . . 0.0 110.967 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.429 ' HG3' ' CG ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -56.2 -48.56 76.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.926 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.2 t -64.37 -57.7 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.127 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.21 -39.44 66.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -68.12 -51.81 41.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.5 mt -50.25 -35.75 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.16 -54.91 6.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -33.38 25.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.842 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -86.83 -30.84 21.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.3 mt -62.27 -64.98 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -12.81 47.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.04 -24.99 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.1 p -123.6 52.11 1.45 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 50.02 49.53 35.93 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.453 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.428 ' C ' HD13 ' A' ' 63' ' ' LEU . 1.1 m-20 -96.47 -53.32 3.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.842 0.353 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.754 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -97.82 -17.47 19.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.988 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -69.15 -19.03 64.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -50.16 -37.51 35.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.89 -4.26 3.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.79 6.24 66.64 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.528 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -128.08 -169.08 2.0 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.738 0.304 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.0 mt -146.09 109.02 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.37 155.92 33.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -47.56 -34.45 7.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -54.53 -54.76 36.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.17 -47.31 78.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.815 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -51.57 -54.58 26.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.5 mm -54.25 -60.07 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.182 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -51.31 -29.84 16.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 24.7 mt -76.92 -42.71 32.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -61.7 -37.72 85.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.14 -34.62 26.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 61.5 54.14 38.36 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.7 mt -140.8 134.4 30.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 mmt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.803 0.335 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.57 -174.28 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.026 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -139.12 -171.88 3.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.06 -161.04 17.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.43 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.9 p -127.98 82.85 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.922 0.391 . . . . 0.0 110.849 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -120.73 154.87 24.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.112 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.1 p -49.13 153.39 0.95 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -53.8 -56.77 14.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.63 -59.9 2.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.929 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.518 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.31 -55.29 35.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.91 -44.25 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 26.8 ttp -68.31 -49.58 59.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.83 -60.0 3.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 7.9 mt -46.57 -51.21 16.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -45.12 85.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -50.82 -59.52 4.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.31 -57.0 14.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -41.23 -55.36 2.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.13 -46.64 62.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.054 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -54.91 -28.89 54.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -106.58 4.91 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.094 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -109.08 46.03 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.7 t -81.38 3.82 23.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.228 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.66 -16.02 54.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.15 19.11 69.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -113.47 -19.7 11.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.73 -28.26 12.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -113.04 144.45 42.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.88 0.371 . . . . 0.0 110.909 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.5 pt -97.65 154.18 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.145 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.2 m -73.09 162.68 29.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.447 ' CZ ' ' CD2' ' A' ' 63' ' ' LEU . 8.7 m-85 -48.28 -56.59 7.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -51.75 -46.29 63.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.43 -41.48 97.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 tp -54.78 -61.71 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -50.76 -49.09 58.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -59.29 -35.45 73.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.31 -36.03 76.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.55 -40.15 95.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.941 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -86.94 -24.14 24.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.47 -24.73 45.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.05 15.63 11.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 51.5 m 48.91 47.23 21.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.3 mt -78.24 156.45 78.97 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.576 0.703 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 -45.91 1.37 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.701 2.267 . . . . 0.0 112.321 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 mt -49.24 139.44 13.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.591 0.71 . . . . 0.0 110.935 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.436 ' CG ' ' HG3' ' A' ' 49' ' ' ARG . 53.2 Cg_endo -69.8 -170.83 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.674 2.249 . . . . 0.0 112.281 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.8 -40.96 11.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.51 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -67.15 -36.87 82.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.88 0.372 . . . . 0.0 110.91 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.436 ' HG3' ' CG ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -55.3 -51.34 67.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.942 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.0 t -62.11 -59.18 4.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.73 -43.36 62.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -66.37 -51.77 53.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.2 mt -49.67 -36.26 10.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.178 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -58.21 3.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.153 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -31.84 24.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -86.96 -31.45 20.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.6 mt -63.06 -64.94 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -13.05 42.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.98 -25.07 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.071 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.9 p -123.82 51.69 1.51 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 50.33 49.64 37.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.422 ' C ' HD12 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -96.57 -53.57 3.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 0.0 110.828 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.75 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -97.18 -10.23 26.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.2 -21.24 54.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.781 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -49.62 -38.2 30.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.97 -14.4 5.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.797 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.79 -37.26 3.43 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.415 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.02 -168.42 1.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.748 0.308 . . . . 0.0 110.859 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.1 mt -137.57 114.56 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.61 157.86 31.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.81 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -49.89 -37.15 30.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -52.25 -55.8 18.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.48 -50.28 63.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 6.8 t80 -51.82 -48.37 63.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 34.1 mm -56.32 -56.78 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -49.8 -37.41 30.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.941 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 43.4 mt -71.9 -35.47 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -66.79 -38.34 86.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.2 -34.33 37.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 86.67 -57.28 4.69 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.542 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.69 103.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.908 0.385 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.82 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.9 mtm . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.75 0.31 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.88 -169.54 2.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.142 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.9 tpp85 60.29 97.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.95 117.73 5.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.475 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.95 175.1 9.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.974 0.416 . . . . 0.0 110.875 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 66.55 143.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.153 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.25 151.84 30.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.8 -50.81 32.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -48.63 -60.11 2.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.504 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -58.94 -55.4 35.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.882 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.0 tpt -38.22 -44.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 12.2 ttt -68.81 -47.29 66.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.12 -61.03 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 8.2 mt -46.84 -48.06 21.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -43.02 99.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.85 -53.65 49.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.38 -55.18 19.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -41.34 -55.5 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.811 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.6 -46.46 57.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.08 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -55.3 -28.65 55.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.31 5.31 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -112.2 45.17 1.31 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.8 p -83.39 6.28 20.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.43 -17.11 52.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.12 11.17 79.06 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -107.98 -18.49 13.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.11 -27.0 20.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.522 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -114.17 144.74 42.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.892 0.377 . . . . 0.0 110.935 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.6 pt -94.25 176.63 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.9 t -98.5 163.9 12.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.46 ' CE1' ' HB ' ' A' ' 54' ' ' THR . 1.2 m-85 -45.74 -57.11 4.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -54.67 -45.94 73.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -59.84 -40.22 87.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.0 tp -56.19 -63.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -48.12 -47.54 34.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.77 -36.56 81.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.25 -41.65 94.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.409 ' HA ' ' HG ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -56.2 -54.46 44.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.21 -34.56 73.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.95 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.03 -29.45 69.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.432 ' HB1' ' CD2' ' A' ' 43' ' ' LEU . . . -95.46 17.78 13.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.1 t 52.14 58.25 5.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.914 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.432 ' CD2' ' HB1' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -81.62 152.62 69.95 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.705 0.764 . . . . 0.0 110.891 -179.877 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -47.33 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.726 2.284 . . . . 0.0 112.363 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 mt -57.39 146.37 63.58 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.62 0.724 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.45 ' CG ' ' HG3' ' A' ' 49' ' ' ARG . 53.9 Cg_endo -69.79 -169.41 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.68 2.253 . . . . 0.0 112.385 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.68 -39.12 14.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.463 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -69.9 -36.63 75.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.84 0.352 . . . . 0.0 110.933 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.45 ' HG3' ' CG ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -56.72 -52.53 64.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 42.9 t -63.47 -56.39 17.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.02 -39.8 63.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -71.12 -51.72 23.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 23.6 mt -48.28 -41.87 10.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.46 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -72.56 -57.63 4.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.71 -34.99 41.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -87.39 -21.57 25.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.9 mt -62.19 -60.0 4.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.465 ' HA ' ' H ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -83.93 -8.68 59.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.822 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.48 -26.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.0 p -105.37 -57.87 1.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 172.69 44.83 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.465 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -92.32 -55.38 3.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 0.0 110.901 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.729 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -95.89 21.19 8.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -73.61 -5.63 41.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.22 -29.47 65.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.98 -37.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.47 -26.45 10.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.35 -168.12 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 110.845 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 82.8 mt -145.67 108.49 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.99 156.85 25.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -47.7 -33.77 7.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -56.88 -54.91 41.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.11 -44.65 87.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -53.07 -52.31 58.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 37.6 mm -57.78 -55.74 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.087 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -53.14 -31.73 43.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.8 mt -75.41 -39.04 40.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.206 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -66.3 -34.58 78.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.04 -34.79 24.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 76.9 -60.35 3.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.513 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 mp -130.29 126.82 38.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.849 0.357 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.4 pttt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.817 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 ptm . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.829 0.347 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.19 169.81 2.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.087 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 40.2 mtt-85 -75.17 -172.22 1.63 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.825 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.96 176.29 44.4 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.94 -48.03 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 110.826 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.7 m -52.83 144.56 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.29 177.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.787 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.0 -49.53 77.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.805 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -51.8 -60.2 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.571 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -60.69 -61.27 2.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -37.45 -42.16 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.9 ttp -68.13 -48.85 64.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.34 -58.99 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 6.5 mt -47.64 -47.77 29.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -47.02 87.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.831 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.96 -56.4 10.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.98 -55.01 37.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -41.33 -56.62 2.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.69 -46.36 58.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.108 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -55.19 -28.7 54.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.94 5.28 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -106.27 47.02 0.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.37 7.74 13.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.082 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.72 -19.89 52.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.68 9.32 82.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.55 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -113.22 -18.21 12.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 110.908 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.33 -30.96 7.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.476 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -107.28 146.29 31.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.967 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.2 pt -94.91 177.89 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.8 m -99.59 165.78 11.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.819 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.457 ' CE2' ' HB ' ' A' ' 54' ' ' THR . 1.4 m-85 -47.59 -56.89 6.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -53.72 -47.49 70.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.62 -39.51 84.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.0 tp -57.31 -63.15 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -48.02 -50.24 28.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.59 -34.8 74.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 tp -68.71 -36.29 78.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.96 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.462 ' HA ' HD22 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -62.24 -47.91 82.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -75.51 -34.96 60.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.54 -27.16 66.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.9 11.62 17.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.062 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 88.8 m 50.15 56.5 7.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.462 HD22 ' HA ' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -89.93 161.86 37.15 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.662 0.744 . . . . 0.0 110.879 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -49.47 0.56 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.645 2.23 . . . . 0.0 112.406 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mt -52.05 140.45 31.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 0.0 110.965 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.404 ' CG ' ' HG3' ' A' ' 49' ' ' ARG . 54.2 Cg_endo -69.74 -168.52 0.28 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.38 -39.78 10.71 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -69.3 -39.88 78.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.328 . . . . 0.0 110.863 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.404 ' HG3' ' CG ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -53.82 -49.18 68.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.6 t -65.19 -59.84 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.59 -36.5 45.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -71.44 -54.5 10.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.2 mt -48.6 -40.03 10.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.457 ' HB ' ' CE2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -72.15 -58.35 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.166 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.65 -34.5 38.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -87.05 -22.11 25.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.4 mt -63.17 -60.17 3.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.458 ' HA ' ' H ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -83.51 -8.34 59.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 179.862 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.58 -26.67 0.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.084 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.1 p -105.49 -57.48 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.153 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 172.48 43.72 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.53 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.458 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -90.64 -55.09 3.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 110.929 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.724 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -95.31 27.31 3.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -73.69 -7.01 50.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.86 -26.16 66.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.09 -33.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.27 -18.72 20.72 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.537 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -82.09 -168.58 2.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 0.0 110.831 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 27.8 mt -145.57 114.6 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.65 156.36 21.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -45.11 -36.97 3.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.814 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -54.9 -52.53 62.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.44 -45.65 88.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -52.87 -52.04 58.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 47.6 mm -57.47 -57.57 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.081 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.36 -33.12 41.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.1 mt -76.25 -40.5 36.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -68.01 -38.66 82.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.55 -34.74 40.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.12 52.71 1.71 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.424 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 mt -140.38 177.66 7.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.898 0.38 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.796 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.7 mmt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.818 0.342 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.5 64.28 1.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.058 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.3 152.69 2.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.97 -172.95 36.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.441 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.1 m -153.71 -46.22 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.855 0.36 . . . . 0.0 110.887 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.46 150.15 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.63 154.18 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.17 -55.0 32.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -48.23 -60.04 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.504 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -56.84 -55.38 35.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.58 -43.84 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.4 tpt -68.78 -47.6 65.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.81 -60.48 2.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 7.9 mt -46.81 -48.89 20.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -44.11 97.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -51.06 -60.48 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.34 -55.08 39.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.076 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -41.7 -54.46 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.75 -46.38 59.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -55.27 -27.78 48.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.965 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -106.63 6.22 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -118.84 75.45 1.03 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.76 -6.04 59.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.166 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -63.39 -25.55 68.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.827 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.97 -0.11 79.95 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.06 22.11 15.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.389 . . . . 0.0 110.854 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.01 38.16 74.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -124.6 141.81 51.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.945 0.402 . . . . 0.0 110.864 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.1 pt -135.09 142.63 39.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.121 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.8 m -75.43 164.62 26.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.467 ' CE1' ' HB ' ' A' ' 54' ' ' THR . 1.6 m-85 -47.17 -56.86 5.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.811 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -54.28 -47.33 72.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.09 -39.39 82.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.2 tp -57.78 -63.69 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -47.55 -47.56 28.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -61.73 -37.22 83.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 tp -64.93 -42.22 94.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.407 ' HA ' ' HG ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -55.47 -55.14 35.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.5 mttt -69.3 -36.51 77.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.97 -30.25 71.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.072 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.438 ' HB1' ' CD2' ' A' ' 43' ' ' LEU . . . -94.43 18.6 10.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.9 t 51.47 58.1 5.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.438 ' CD2' ' HB1' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -82.45 151.19 65.09 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.608 0.718 . . . . 0.0 110.943 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -48.04 0.8 Allowed 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.731 2.287 . . . . 0.0 112.316 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 mt -55.04 145.84 42.03 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.62 0.724 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.408 ' CG ' ' HG3' ' A' ' 49' ' ' ARG . 53.1 Cg_endo -69.8 -168.1 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.706 2.271 . . . . 0.0 112.336 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.03 -39.93 11.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -69.37 -38.68 78.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.918 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.408 ' HG3' ' CG ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -55.6 -50.11 70.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.851 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 90.8 t -64.24 -57.45 11.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -36.03 62.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -71.08 -53.53 14.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.7 mt -49.31 -39.94 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.129 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.467 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -72.01 -58.44 3.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.2 -33.76 42.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -87.36 -22.03 25.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.4 mt -63.9 -59.26 4.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.472 ' HA ' ' H ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -84.01 -8.25 59.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.868 179.841 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.7 -26.62 0.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.9 p -105.09 -57.94 1.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.198 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.13 44.56 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.476 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.472 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -92.06 -54.87 3.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.891 0.377 . . . . 0.0 110.859 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.73 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -97.95 12.59 33.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -57.32 -19.15 20.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -49.96 -31.37 12.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.87 -29.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.12 -4.5 22.18 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.421 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.65 -179.43 6.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.791 0.329 . . . . 0.0 110.852 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 73.7 mt -142.07 108.03 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.166 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.52 153.72 33.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -46.92 -34.26 5.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -56.25 -53.05 61.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -57.21 -47.7 80.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 7.0 t80 -52.72 -46.98 67.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 33.2 mm -60.32 -58.88 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -51.14 -34.09 29.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 24.1 mt -71.31 -40.74 73.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.123 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -63.88 -41.83 97.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.59 -34.36 60.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.29 56.56 3.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -107.35 108.64 20.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.961 179.825 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.756 0.312 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.04 153.08 49.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.083 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -134.65 -173.92 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.46 79.03 0.17 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.434 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 m -130.59 -67.13 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 110.832 -179.75 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -51.84 156.11 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.08 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.77 148.48 4.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.82 -179.81 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.54 -53.29 39.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -48.71 -60.13 2.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.896 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.558 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -57.22 -57.11 14.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.945 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 12.0 tpt -38.2 -43.6 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.1 mmt -68.24 -46.29 70.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -68.38 -59.92 2.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 7.3 mt -47.54 -46.6 27.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -49.68 75.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.96 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -49.58 -60.8 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.62 -54.42 47.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -41.72 -55.77 2.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.906 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.05 -45.66 52.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -56.31 -26.72 53.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -108.61 5.7 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.183 179.788 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -87.98 83.12 7.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -59.53 -39.57 84.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -61.51 -25.92 67.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.67 2.47 44.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -114.05 23.0 13.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.22 28.77 43.43 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -122.84 133.51 54.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.821 0.343 . . . . 0.0 110.922 -179.796 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.6 pt -135.76 145.28 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.097 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.3 t -77.9 165.67 23.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -46.55 -56.7 5.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -53.82 -45.57 70.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -59.57 -38.94 82.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.3 tp -59.35 -60.53 3.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -48.49 -46.87 38.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -64.43 -34.36 78.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.404 HD22 ' CD1' ' A' ' 74' ' ' PHE . 1.9 tp -66.39 -37.78 86.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.61 -50.47 64.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -65.75 -36.03 82.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.17 -26.19 58.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.075 179.857 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.8 -8.55 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.8 m 64.82 43.22 4.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.05 158.96 86.32 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.536 0.684 . . . . 0.0 110.928 -179.918 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -26.68 27.5 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.645 2.23 . . . . 0.0 112.343 179.815 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 mt -75.84 142.66 73.47 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.602 0.715 . . . . 0.0 110.921 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.454 ' CG ' ' HG3' ' A' ' 49' ' ' ARG . 54.1 Cg_endo -69.83 -166.74 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.629 2.219 . . . . 0.0 112.346 179.853 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.69 -43.39 8.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.455 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.5 p90 -66.37 -40.65 89.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 0.0 110.886 -179.743 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.454 ' HG3' ' CG ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -51.92 -53.43 41.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.838 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.3 t -61.17 -55.48 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.84 -55.42 17.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -55.24 -50.35 69.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.4 mt -50.71 -41.28 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.71 -63.11 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -39.35 36.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -62.64 -50.77 69.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.16 -57.54 11.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.438 ' HG3' HD23 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -48.54 -28.76 3.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.773 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.77 -32.28 52.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.146 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.3 p -91.56 40.6 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 47.8 53.51 13.55 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.453 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.461 ' C ' HD12 ' A' ' 63' ' ' LEU . 11.5 m-20 -109.29 -46.08 3.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.867 0.365 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.704 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -103.9 9.75 36.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.961 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -60.92 -17.17 49.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -53.18 -51.74 61.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.41 -27.88 0.41 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.18 -32.79 5.75 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.76 -170.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.731 0.301 . . . . 0.0 110.902 -179.856 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 66.4 mt -142.57 105.47 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.38 155.51 28.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.817 -179.918 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -48.55 -30.93 5.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.14 -54.07 51.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.94 -42.81 90.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.404 ' CD1' HD22 ' A' ' 37' ' ' LEU . 17.2 t80 -56.04 -52.29 64.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.7 mm -57.63 -60.4 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.0 tttm -53.32 -36.07 60.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 13.2 mt -69.14 -38.95 78.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.871 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -65.89 -43.69 87.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.04 -34.9 71.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.801 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.87 56.98 5.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.544 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 pp -135.13 131.01 36.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.942 0.401 . . . . 0.0 110.902 -179.87 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 179.855 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.26 -171.72 3.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -90.25 -50.82 5.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.864 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.47 -153.32 26.13 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.526 -179.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -127.98 -43.8 1.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.929 0.395 . . . . 0.0 110.887 -179.768 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.9 m -50.71 156.62 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.169 179.929 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.73 172.58 13.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.819 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.35 -45.83 76.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.897 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -54.61 -60.2 3.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.547 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -64.35 -63.11 1.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.883 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.0 tpp -37.1 -42.89 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -68.17 -49.12 62.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.51 -60.32 2.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 11.2 mt -45.83 -48.32 15.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.892 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -45.71 90.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -49.44 -59.32 3.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.11 -54.96 39.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.476 ' HA ' HG21 ' A' ' 21' ' ' VAL . 9.0 t80 -41.39 -38.0 1.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.1 -52.8 63.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.105 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -20.53 21.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.476 HG21 ' HA ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -110.31 4.77 8.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.891 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -90.4 75.67 6.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.9 p -51.76 -45.39 63.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -61.44 -25.85 67.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.19 6.81 48.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -113.58 22.2 14.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.904 0.383 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.49 32.12 28.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.446 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -127.43 140.03 52.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.83 0.348 . . . . 0.0 111.002 -179.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.4 pt -139.13 148.78 23.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.164 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.2 t -80.36 161.28 25.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.473 ' CE1' ' HB ' ' A' ' 54' ' ' THR . 0.7 OUTLIER -44.85 -55.05 5.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -55.78 -47.0 77.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -58.98 -39.92 83.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.0 tp -56.0 -63.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -48.11 -45.81 33.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -62.89 -37.91 88.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.812 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tp -64.75 -40.64 95.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.996 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.43 ' HA ' ' HG ' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -56.66 -55.02 39.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.912 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -70.07 -38.99 75.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.41 -32.58 71.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 179.857 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.441 ' HB1' ' CD2' ' A' ' 43' ' ' LEU . . . -92.91 18.29 9.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 83.2 m 50.71 60.04 4.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.441 ' CD2' ' HB1' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -81.56 154.11 71.1 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.644 0.735 . . . . 0.0 110.871 -179.886 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.83 -41.67 3.99 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.627 2.218 . . . . 0.0 112.282 179.896 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 mt -65.38 147.06 98.85 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.59 0.71 . . . . 0.0 110.992 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.409 ' CG ' ' HG3' ' A' ' 49' ' ' ARG . 53.4 Cg_endo -69.79 -168.95 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.708 2.272 . . . . 0.0 112.358 179.883 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.72 -39.29 12.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.51 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.5 p90 -69.88 -37.93 76.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.889 0.376 . . . . 0.0 110.941 -179.793 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.409 ' HG3' ' CG ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -56.49 -51.85 66.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.87 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.5 t -63.45 -56.15 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -39.18 65.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -70.78 -50.86 31.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 22.7 mt -49.58 -41.98 16.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.473 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -72.28 -56.73 5.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.916 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.25 -35.16 49.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -86.98 -21.61 26.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.3 mt -64.06 -59.05 4.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.001 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.483 ' HA ' ' H ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -85.26 -6.68 59.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.781 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.21 -25.72 0.66 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.4 p -107.24 -57.8 2.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 -179.879 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.38 46.85 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.505 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.483 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -94.68 -55.87 2.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.876 0.37 . . . . 0.0 110.856 -179.956 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.723 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -95.02 -11.23 28.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.968 -179.95 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -49.69 -24.02 2.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -50.65 -33.54 22.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -147.17 -37.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.47 -38.38 3.23 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.475 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.2 mtm180 -72.38 -169.28 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.765 0.317 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 95.2 mt -143.03 107.45 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.31 151.64 34.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -46.45 -39.34 10.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -51.62 -54.58 26.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.64 -42.57 79.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.887 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.409 ' CD2' ' C ' ' A' ' 74' ' ' PHE . 10.2 t80 -56.61 -46.42 80.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.2 mm -61.3 -56.11 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -52.35 -38.5 58.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 179.807 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.0 mt -67.64 -42.57 86.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.836 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -63.32 -35.5 80.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.55 -35.05 60.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.819 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.39 58.28 1.02 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.508 -179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.1 104.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.39 . . . . 0.0 110.979 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.4 pptp? . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.918 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.845 0.355 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.2 176.65 9.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.143 179.86 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -89.51 -63.96 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.19 166.36 12.33 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.91 -59.92 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.873 -179.742 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.3 m -51.59 149.95 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.07 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.98 165.76 1.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.862 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.82 -47.95 67.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -51.24 -60.49 3.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.926 -179.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.504 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -62.08 -58.94 5.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.888 -179.999 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.29 -43.73 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -69.1 -50.47 47.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.856 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -66.04 -60.99 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 12.7 mt -45.96 -48.16 16.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -46.78 89.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -50.26 -60.63 2.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.891 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.59 -55.16 38.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -41.57 -55.87 2.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.8 -46.38 59.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -55.34 -28.44 53.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.67 5.32 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.903 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -107.33 49.65 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.2 t -81.74 6.64 14.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.55 -16.06 44.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.39 12.33 58.26 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 -179.906 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -112.33 -18.34 12.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.8 -16.52 33.57 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.455 179.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 70' ' ' SER . 2.3 p90 -122.07 146.86 46.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 110.898 -179.858 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.1 pt -97.65 177.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.15 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.3 t -99.14 165.44 11.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.442 ' CZ ' HG22 ' A' ' 54' ' ' THR . 3.6 m-85 -46.65 -57.42 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -54.2 -46.18 72.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -59.07 -40.27 84.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.7 tp -57.83 -62.31 1.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -47.93 -46.97 32.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.81 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -63.26 -35.7 81.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tp -65.44 -39.7 92.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -60.37 -56.8 17.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -63.02 -40.08 96.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.62 -23.37 63.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.32 17.96 10.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.8 t 51.2 41.83 28.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.27 150.96 92.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.576 0.703 . . . . 0.0 110.924 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -48.61 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.72 2.28 . . . . 0.0 112.323 179.801 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mt -54.35 144.36 41.92 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.613 0.721 . . . . 0.0 110.942 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.453 ' CG ' ' HG3' ' A' ' 49' ' ' ARG . 53.4 Cg_endo -69.79 -167.86 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.273 . . . . 0.0 112.34 179.839 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.68 -43.36 9.19 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.431 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -65.95 -38.62 89.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.915 0.388 . . . . 0.0 110.974 -179.836 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.453 ' HG3' ' CG ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -54.28 -54.63 37.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 98.8 t -58.98 -53.95 40.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.147 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -51.15 63.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -59.23 -42.61 91.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.881 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.0 mt -59.6 -33.46 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.442 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -73.36 -63.43 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -34.42 59.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -66.84 -49.64 65.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -60.04 4.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.461 ' HG3' HD21 ' A' ' 63' ' ' LEU . 1.0 OUTLIER -47.39 -27.92 1.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.838 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.87 -39.62 85.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.08 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.3 t -93.1 35.42 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 -179.827 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 55.1 24.85 37.04 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.418 ' C ' HD11 ' A' ' 63' ' ' LEU . 29.4 m-20 -67.87 -44.55 76.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.721 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -100.34 21.32 13.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -69.12 -10.84 59.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 179.837 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.64 -22.05 31.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.898 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.34 -27.46 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.813 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.67 -13.52 22.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.465 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -88.14 -165.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.746 0.308 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 42.6 mt -145.42 106.34 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -79.84 157.04 27.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -46.62 -34.53 5.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.823 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -56.18 -54.5 44.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -56.9 -43.95 81.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.834 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -55.13 -52.64 62.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.9 mm -56.83 -57.67 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.182 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -52.02 -33.18 37.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.857 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.0 mt -72.72 -42.39 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -62.34 -38.79 90.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.98 -34.57 44.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 83.04 -58.19 5.05 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.524 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 mp -139.6 130.13 25.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 0.0 110.944 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.843 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.863 0.363 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.18 -176.15 5.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.5 mtt180 -121.75 -73.69 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.883 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.29 106.75 0.7 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 p -178.75 -176.33 0.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.96 0.409 . . . . 0.0 110.819 -179.707 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.4 m -52.55 146.75 2.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.165 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.61 170.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.879 -179.857 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.01 -49.3 69.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -51.65 -60.53 3.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.57 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -59.98 -60.99 2.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.958 -179.961 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.7 tpt -37.36 -42.15 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 29.0 ttp -68.35 -48.91 63.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.93 -58.94 4.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 5.9 mt -47.97 -48.95 32.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -46.46 87.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -49.47 -58.94 4.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.29 -55.58 33.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.107 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -41.48 -55.49 2.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.78 -46.49 59.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.4 mtmm -54.97 -28.45 51.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.66 5.57 9.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -109.17 46.17 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.25 7.37 16.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.179 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.53 -21.26 59.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.84 11.33 85.52 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.465 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -113.64 -19.54 11.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.832 -179.87 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.26 -31.1 7.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -107.74 145.23 33.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.921 -179.786 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.1 pt -94.39 177.71 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.6 t -98.95 161.7 13.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 -179.893 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.435 ' CZ ' ' CD2' ' A' ' 63' ' ' LEU . 13.9 m-85 -45.1 -55.47 5.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 -179.897 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -54.73 -47.4 73.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -60.21 -39.99 88.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.5 tp -56.63 -61.55 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -50.19 -48.26 54.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -61.96 -33.72 74.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 tp -68.65 -37.62 79.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.46 ' HA ' HD22 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -62.3 -52.84 62.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.887 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.9 mtpt -66.79 -42.65 85.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.21 -20.58 64.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.881 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.16 4.41 34.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.1 t 57.03 31.39 19.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.921 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.46 HD22 ' HA ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -69.27 159.99 80.87 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.565 0.698 . . . . 0.0 110.919 -179.914 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -48.58 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.667 2.244 . . . . 0.0 112.414 179.826 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mt -49.94 139.24 17.6 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.656 0.741 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.443 ' CG ' ' HG3' ' A' ' 49' ' ' ARG . 53.7 Cg_endo -69.7 -169.83 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.703 2.269 . . . . 0.0 112.298 179.869 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.64 -40.76 11.99 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.48 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -67.95 -36.21 79.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.905 0.383 . . . . 0.0 110.955 -179.79 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.443 ' HG3' ' CG ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -56.49 -51.07 69.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 -179.972 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.9 t -62.95 -57.52 11.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.75 -45.84 67.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -64.31 -49.87 70.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.9 mt -49.27 -40.32 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -54.5 10.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.34 -34.71 24.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -85.33 -29.26 24.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.915 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.9 mt -61.57 -64.51 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -13.1 57.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.802 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.92 -25.29 1.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.17 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.2 p -122.2 50.11 1.5 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.205 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 51.5 49.13 46.99 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.461 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.413 ' C ' HD11 ' A' ' 63' ' ' LEU . 2.0 m-20 -96.14 -53.69 3.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.885 0.374 . . . . 0.0 110.838 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.745 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -97.36 13.13 30.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.936 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -91.64 -13.14 32.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -49.39 -31.51 9.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.47 -35.55 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.53 9.06 22.11 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -130.9 -165.72 1.6 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.85 0.357 . . . . 0.0 110.835 -179.839 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.0 mt -144.13 111.43 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.73 157.8 24.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -46.94 -35.25 6.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -53.91 -55.55 25.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.24 -45.03 80.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -53.28 -53.18 54.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 -179.835 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.2 mm -55.67 -58.98 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.153 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -52.77 -29.63 28.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 179.855 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 22.6 mt -76.74 -45.01 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -60.24 -44.04 95.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.28 -34.9 48.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 55.82 50.47 60.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.521 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.2 mt -140.72 128.94 22.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.891 0.377 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.808 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.695 0.283 . . . . 0.0 110.805 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.91 128.28 48.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.03 176.74 1.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.37 -175.0 0.52 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.531 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.6 p -174.76 141.44 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.93 0.395 . . . . 0.0 110.799 -179.757 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.6 m -108.46 147.48 13.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.15 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.47 165.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.19 -50.84 61.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -51.63 -60.51 3.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.509 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -58.1 -59.41 5.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 -179.963 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.61 -44.18 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.3 mmt -67.93 -47.13 69.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.859 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.75 -60.87 2.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 7.1 mt -46.27 -47.46 18.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.968 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.54 -43.22 90.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.91 -55.24 15.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.81 -54.14 25.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.461 ' HA ' HG22 ' A' ' 21' ' ' VAL . 20.8 t80 -42.44 -35.1 0.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.58 -52.63 60.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.48 -21.16 23.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.461 HG22 ' HA ' ' A' ' 18' ' ' PHE . 0.1 OUTLIER -109.0 3.69 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.111 179.93 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -115.77 45.0 1.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.4 p -83.9 5.77 24.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 -179.905 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.96 -16.39 50.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.71 13.9 75.13 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 -179.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -110.55 -19.95 12.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.952 0.405 . . . . 0.0 110.921 -179.891 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.2 -22.3 31.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.473 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -116.05 150.67 36.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.37 . . . . 0.0 110.879 -179.788 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.8 pt -101.83 177.83 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.164 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.8 m -99.79 164.37 12.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -46.85 -56.57 6.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -54.4 -46.8 73.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.29 -40.4 86.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 tp -56.48 -61.99 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -49.38 -44.78 45.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -64.4 -33.84 76.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.899 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tp -67.7 -40.48 84.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -62.65 -46.2 89.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.902 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -71.93 -32.06 66.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.01 -28.28 61.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.03 -0.85 55.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.5 m 62.78 31.75 16.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.46 160.99 21.13 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.572 0.701 . . . . 0.0 110.928 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -47.13 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.727 2.285 . . . . 0.0 112.266 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mt -54.64 141.61 55.11 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.586 0.708 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.447 ' CG ' ' HG3' ' A' ' 49' ' ' ARG . 54.1 Cg_endo -69.7 -166.93 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.239 . . . . 0.0 112.419 179.833 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.26 -44.59 7.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -64.97 -39.73 93.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.825 0.345 . . . . 0.0 110.921 -179.796 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.447 ' HG3' ' CG ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -52.98 -54.8 29.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.963 179.949 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.1 t -57.9 -56.9 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.6 -57.61 8.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -53.18 -49.85 65.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.6 mt -51.0 -40.79 21.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.29 -62.05 1.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.69 -38.02 31.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -63.99 -50.98 66.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.51 -57.02 13.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.454 ' HG3' HD22 ' A' ' 63' ' ' LEU . 1.2 ttm -48.97 -26.77 2.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.794 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.34 -30.58 30.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.1 p -91.84 40.37 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 48.59 53.23 17.54 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.524 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.463 ' C ' HD12 ' A' ' 63' ' ' LEU . 11.3 m-20 -110.65 -46.1 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.874 0.369 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.695 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -105.05 22.92 14.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.949 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -76.46 -5.83 49.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.787 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -72.84 -27.12 61.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -164.35 -35.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.45 -20.58 18.27 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.449 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -77.09 -165.33 0.55 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.83 0.347 . . . . 0.0 110.848 -179.859 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 24.2 mt -145.2 105.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.47 153.9 27.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.886 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -44.9 -36.13 3.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -55.53 -54.24 46.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -56.83 -41.61 78.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -57.63 -53.17 61.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.804 -179.865 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.3 mm -55.98 -59.38 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -52.65 -33.69 48.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.9 mt -73.41 -43.05 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -62.78 -46.71 86.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.41 -34.62 67.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 57.16 52.51 50.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.472 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.5 mt -140.28 129.85 24.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.349 . . . . 0.0 110.929 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.3 mttt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.881 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.6 ptt? . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.783 0.325 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 60.58 48.47 7.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.17 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.78 158.16 14.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.827 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.92 127.15 1.09 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 -179.94 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m -133.84 -69.55 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.902 -179.818 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.83 155.26 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.51 152.52 1.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 -179.858 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.57 -56.27 18.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -47.94 -60.15 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.522 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -56.27 -55.59 31.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.912 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.26 -44.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.7 ttt -68.13 -47.72 67.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -67.49 -60.38 2.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 7.8 mt -46.85 -48.91 20.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.94 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -44.34 96.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.897 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -50.48 -59.95 3.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.22 -54.74 42.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -41.35 -56.58 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.66 -46.1 58.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.4 mtmm -55.46 -28.22 53.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.88 5.32 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 179.912 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -105.09 50.31 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 p -81.67 6.91 13.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 -179.885 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -16.44 47.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.09 11.55 58.87 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.461 -179.931 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -113.38 -17.72 12.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.949 0.404 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.56 -20.53 27.36 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.439 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -116.33 145.27 43.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 110.901 -179.815 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.5 pt -94.72 177.07 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.167 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.1 t -98.81 161.99 13.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.455 ' CZ ' ' CD2' ' A' ' 63' ' ' LEU . 7.1 m-85 -45.24 -55.71 5.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -55.08 -46.35 75.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -60.45 -38.97 85.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.0 tp -57.81 -63.1 1.36 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -49.19 -47.88 45.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -62.5 -36.22 81.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.402 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 1.1 tp -64.71 -39.4 93.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.406 ' CD2' ' HG ' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -59.3 -58.67 7.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 179.934 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.5 -37.5 87.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.31 -21.53 62.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.031 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -93.86 19.63 8.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.088 179.935 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 54.8 m 50.95 38.67 20.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.406 ' HG ' ' CD2' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -66.93 145.93 99.0 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 110.898 -179.923 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -40.82 4.89 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.66 2.24 . . . . 0.0 112.372 179.822 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.1 mt -56.64 144.45 64.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.553 0.692 . . . . 0.0 110.97 179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.431 ' CG ' ' HG3' ' A' ' 49' ' ' ARG . 53.7 Cg_endo -69.8 -169.52 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.402 179.891 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.5 -40.62 12.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.518 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -68.25 -36.3 79.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.897 0.38 . . . . 0.0 110.924 -179.845 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.431 ' HG3' ' CG ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -56.38 -53.57 55.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.953 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.8 t -61.61 -57.14 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.32 -42.64 64.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.82 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -68.33 -48.54 64.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 20.1 mt -50.63 -34.68 12.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.066 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.89 -48.55 14.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -58.56 -31.41 67.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -87.78 -31.07 19.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.2 mt -61.51 -64.74 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.931 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -11.75 44.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.85 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.92 -23.81 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.902 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.1 t -119.31 34.94 5.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.115 -179.88 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.02 34.13 87.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.412 ' C ' HD11 ' A' ' 63' ' ' LEU . 79.5 m-20 -78.8 -53.69 6.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.777 0.322 . . . . 0.0 110.779 -179.921 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.757 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -96.41 3.51 52.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.913 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.19 -14.78 42.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 179.882 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.18 -43.37 31.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.852 -179.91 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.32 -32.9 2.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.18 -4.33 28.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.452 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.12 -167.31 1.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 0.0 110.874 -179.87 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 30.6 mt -145.39 109.31 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.24 157.46 29.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.917 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -49.14 -32.52 10.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.78 -179.885 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -55.32 -56.33 21.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.26 -45.61 76.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -54.39 -50.04 68.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 34.8 mm -57.87 -59.87 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.202 179.918 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.38 -30.83 20.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.779 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 33.5 mt -72.11 -45.97 60.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -61.08 -39.94 91.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.13 -34.62 56.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.809 -179.954 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 59.36 57.31 20.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.458 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.7 pp -121.67 121.91 38.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.794 0.33 . . . . 0.0 110.984 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.975 179.769 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.2 mmm . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.813 0.34 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.86 106.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -141.3 169.9 16.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.893 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.06 158.73 8.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.427 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.3 p -91.81 76.68 5.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.878 0.37 . . . . 0.0 110.796 -179.751 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -135.53 147.03 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 179.892 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.02 150.62 2.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.802 -179.775 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.14 -52.85 39.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -48.95 -60.22 2.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.817 -179.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.505 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -57.06 -54.95 40.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.925 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.78 -44.68 1.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.0 tpt -68.37 -46.5 69.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -68.53 -60.88 2.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 7.8 mt -46.75 -48.33 20.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -48.28 82.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -49.27 -58.95 4.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.29 -54.5 43.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -41.17 -56.71 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.81 -45.91 59.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.8 mtmt -56.12 -28.32 57.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.58 4.88 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 179.823 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -105.24 49.65 0.8 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.81 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.9 t -81.67 6.82 14.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.149 -179.908 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -61.2 -16.9 49.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.74 11.66 60.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -113.38 -17.61 12.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.857 0.361 . . . . 0.0 110.845 -179.882 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.3 -19.29 29.6 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.457 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -118.07 145.68 44.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 0.0 110.852 -179.784 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.0 pt -94.44 177.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.149 179.892 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.2 m -98.85 162.92 12.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.482 ' CE2' ' HB ' ' A' ' 54' ' ' THR . 0.8 OUTLIER -45.89 -55.6 6.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -55.61 -46.5 77.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.21 -39.64 83.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.0 tp -56.53 -62.35 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -48.87 -48.19 42.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -62.3 -34.28 76.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.871 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 tp -68.03 -34.53 76.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.57 -43.64 89.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.921 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -80.05 -30.99 39.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.97 -26.03 60.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.044 179.915 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.27 13.46 15.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.926 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.4 t 52.37 39.12 26.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 mt -72.49 158.94 86.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.622 0.725 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.69 -51.59 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.637 2.225 . . . . 0.0 112.428 179.842 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 mt -51.52 140.47 26.12 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.681 0.753 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.442 ' CG ' ' HG3' ' A' ' 49' ' ' ARG . 54.3 Cg_endo -69.77 -167.16 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.707 2.272 . . . . 0.0 112.391 179.825 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.52 -40.21 10.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.469 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.7 p90 -69.34 -41.98 75.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.89 0.376 . . . . 0.0 110.876 -179.776 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.442 ' HG3' ' CG ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -51.26 -45.93 62.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 -179.969 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.8 t -69.94 -57.33 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -37.97 38.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -71.69 -54.66 9.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 33.7 mt -47.93 -40.11 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.482 ' HB ' ' CE2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -72.59 -58.42 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.943 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.7 -33.85 36.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -87.42 -22.8 24.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 mt -63.97 -59.55 4.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.486 ' HA ' ' H ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -84.52 -6.9 59.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.792 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.87 -26.78 0.74 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.4 p -106.42 -57.96 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 -179.92 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.61 46.13 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.526 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.486 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -93.45 -55.35 3.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.836 0.351 . . . . 0.0 110.823 -179.893 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.724 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -95.51 -8.69 34.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.902 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -49.83 -23.67 2.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.856 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -51.64 -34.89 39.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.53 -37.0 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 63' ' ' LEU . . . 114.35 -38.15 3.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.481 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.6 mmt85 -75.66 -168.75 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.766 0.317 . . . . 0.0 110.917 -179.894 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 56.7 mt -141.94 113.56 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.127 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.12 155.33 26.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -47.61 -36.82 11.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.26 -54.74 35.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.955 179.926 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.86 -46.96 84.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -52.46 -45.45 66.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.1 mm -62.54 -58.84 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -51.6 -30.58 21.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.851 179.865 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.8 mt -74.3 -44.59 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.9 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -61.57 -34.44 75.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.66 -34.36 25.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.56 -56.19 2.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.558 -179.951 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.7 pp -140.8 177.52 7.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.805 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 ptt? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.831 0.348 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.47 154.72 25.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -129.67 176.88 7.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.897 -179.907 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.38 107.67 0.54 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.54 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.1 m -154.36 -67.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.969 0.414 . . . . 0.0 110.85 -179.693 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.17 152.2 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.129 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.3 154.28 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.828 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.18 -55.04 31.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -48.19 -60.08 2.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.86 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.525 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -56.97 -55.01 40.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.909 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.26 -44.56 0.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 18.1 mmm -68.26 -47.63 67.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -67.14 -60.61 2.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.805 -179.907 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 8.3 mt -46.84 -50.8 17.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 -179.932 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -46.53 85.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -50.92 -61.36 2.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.97 -54.26 48.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.883 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -40.76 -57.21 1.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.84 -46.37 60.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -55.45 -28.81 56.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.899 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -106.71 6.0 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.061 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -104.93 54.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.3 p -64.58 -12.82 49.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -179.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -61.35 -18.83 60.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.767 179.905 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 50.72 25.63 9.48 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -113.89 -14.78 12.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.348 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.51 -9.39 30.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.494 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -131.26 142.62 50.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.35 . . . . 0.0 110.922 -179.865 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.0 pt -103.01 172.05 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.152 179.887 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.7 m -87.18 159.98 18.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.476 ' CE2' ' HB ' ' A' ' 54' ' ' THR . 1.3 m-85 -46.4 -54.49 9.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -54.92 -47.16 74.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -59.25 -39.74 83.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.7 tp -56.66 -62.58 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -48.96 -46.15 43.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -63.48 -33.5 75.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.5 tp -70.38 -33.7 71.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -67.22 -39.77 86.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt -84.31 -31.11 25.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.24 -28.13 61.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.108 179.802 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.65 12.23 15.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.098 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.0 t 51.08 46.07 26.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.884 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.8 mt -77.93 157.15 79.33 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.635 0.731 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -49.04 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.683 2.255 . . . . 0.0 112.305 179.886 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 mt -49.1 140.14 12.19 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.612 0.72 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -168.98 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.321 179.888 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.63 -40.32 9.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.3 p90 -68.36 -39.7 81.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.875 0.369 . . . . 0.0 110.897 -179.783 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.68 -48.97 68.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.2 t -65.46 -60.73 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.35 -38.86 44.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -70.14 -54.52 12.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.7 mt -48.48 -44.02 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.173 179.942 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.476 ' HB ' ' CE2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -67.39 -58.52 4.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.942 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -28.35 31.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -87.69 -23.94 24.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.58 -60.53 2.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.909 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.515 ' HA ' ' H ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -80.62 -7.3 59.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.798 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.18 -26.63 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.072 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.5 p -108.06 -53.13 2.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 -179.878 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 167.98 42.1 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.47 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.515 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -88.67 -55.07 3.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 110.841 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.742 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -94.44 -11.38 29.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.917 -179.947 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -50.11 -23.7 2.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.873 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -50.83 -33.18 22.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -150.14 -39.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.76 -10.96 21.08 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.52 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -93.51 -168.36 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 110.81 -179.861 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 77.7 mt -144.88 110.45 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.096 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 p -75.12 151.22 38.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -47.5 -34.17 7.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.95 -54.71 41.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -55.94 -46.66 78.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -54.04 -47.77 71.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 31.6 mm -58.48 -57.69 9.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -49.4 -37.85 26.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.89 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.7 mt -71.63 -36.63 60.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -65.05 -35.51 81.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.82 -34.28 26.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.784 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 68.31 53.72 20.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.43 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.5 mt -139.76 125.35 19.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.849 0.357 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.868 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.846 0.355 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.23 142.76 0.27 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -179.54 170.71 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.918 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.93 166.6 13.16 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 t -95.45 101.86 13.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.393 . . . . 0.0 110.905 -179.756 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -159.9 146.64 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.125 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.07 146.69 4.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.792 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -49.1 -54.07 17.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -48.27 -58.84 3.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.542 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -57.17 -56.62 19.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.953 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.406 ' C ' ' O ' ' A' ' 10' ' ' GLU . 11.7 tpt -37.57 -45.08 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.8 mtp -67.98 -46.52 71.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.52 -60.17 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 7.5 mt -46.59 -46.67 19.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -47.3 86.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -50.93 -58.84 5.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.98 -55.03 40.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.043 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -41.31 -55.99 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.56 -46.29 57.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.077 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -55.67 -28.54 56.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.39 5.17 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.149 179.865 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -112.27 44.96 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 179.887 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.2 t -83.22 6.11 20.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 -179.858 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -61.57 -16.79 51.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.3 17.27 75.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -113.47 -19.36 11.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.31 -26.45 20.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -115.28 145.56 42.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.817 0.342 . . . . 0.0 110.904 -179.807 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.8 pt -94.76 177.46 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.199 179.888 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.2 t -99.18 163.48 12.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.804 -179.848 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.465 ' CE1' ' HB ' ' A' ' 54' ' ' THR . 1.4 m-85 -46.1 -56.66 5.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.795 -179.919 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -54.25 -47.28 72.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.94 -40.57 85.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.7 tp -55.9 -62.95 1.35 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -48.19 -47.59 35.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.831 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -62.3 -35.37 78.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.906 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tp -69.04 -35.46 76.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.476 ' HA ' HD21 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -63.26 -48.29 78.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.984 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -75.53 -33.04 60.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.7 -26.94 64.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.819 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.46 12.45 16.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 94.8 m 49.23 53.6 12.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.476 HD21 ' HA ' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -85.58 162.65 47.27 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.625 0.726 . . . . 0.0 110.899 -179.919 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -49.23 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.679 2.253 . . . . 0.0 112.33 179.837 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mt -53.95 141.62 48.03 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.682 0.753 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -167.88 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.715 2.276 . . . . 0.0 112.384 179.846 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.1 -39.37 10.12 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.46 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -69.79 -41.76 74.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.896 0.379 . . . . 0.0 110.935 -179.738 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -52.32 -44.71 65.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.9 t -68.64 -54.09 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -42.24 67.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -68.54 -51.11 46.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.1 mt -48.75 -45.14 15.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.465 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -69.14 -56.04 8.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.943 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.7 -36.25 46.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -85.16 -21.46 29.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.73 -61.84 2.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.455 ' HA ' ' H ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -83.21 -7.63 59.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.759 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.5 -26.79 0.94 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 179.854 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.0 p -106.52 -57.56 2.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -179.914 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 172.36 43.73 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.442 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.455 ' H ' ' HA ' ' A' ' 58' ' ' MET . 75.1 m-20 -90.23 -54.06 4.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.731 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -95.34 17.33 14.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -180.0 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -58.15 -18.99 29.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 179.854 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -51.12 -32.73 23.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -171.12 -31.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.57 -7.48 22.41 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -82.89 -169.67 2.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.754 0.311 . . . . 0.0 110.852 -179.88 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 83.7 mt -148.03 107.36 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.2 155.35 26.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -47.12 -34.73 6.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -56.58 -54.41 46.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.86 -45.85 85.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -52.36 -52.43 53.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 32.5 mm -56.9 -60.11 2.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -52.34 -30.94 31.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.812 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 32.1 mt -76.37 -38.59 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.073 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -65.58 -39.14 91.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.54 -34.41 31.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.29 -59.61 2.28 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.555 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.81 129.7 36.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.754 0.311 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.854 179.846 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 mmm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.802 0.334 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -169.99 -174.2 1.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.047 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.73 158.63 43.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.849 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.18 90.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.7 p -174.69 -169.84 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.895 0.378 . . . . 0.0 110.881 -179.703 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.7 m -50.08 158.99 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.089 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.08 -176.3 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.811 -179.841 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -71.91 -53.8 12.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -54.62 -42.12 70.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.601 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -71.32 -64.94 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.905 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -37.47 -41.51 0.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.4 mmm -69.58 -49.17 56.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.04 -59.33 3.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 8.3 mt -46.86 -48.81 20.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -47.2 87.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -48.47 -60.88 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.76 -54.63 44.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.094 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.485 ' HA ' HG22 ' A' ' 21' ' ' VAL . 9.1 t80 -42.32 -36.23 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.19 -52.9 61.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.057 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -56.85 -21.38 28.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.485 HG22 ' HA ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -108.17 4.18 9.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.099 179.915 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -93.75 75.77 4.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.5 p -57.66 -36.94 72.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.16 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.26 -26.74 68.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.2 5.38 41.28 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.471 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -114.07 22.15 14.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.25 32.22 35.8 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -127.96 142.41 51.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.955 -179.882 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.8 pt -138.0 146.89 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.097 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.9 t -78.28 160.83 27.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.46 ' CZ ' ' CD2' ' A' ' 63' ' ' LEU . 15.3 m-85 -45.83 -53.29 9.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -55.92 -48.06 76.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.924 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.02 -40.38 89.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.7 tp -54.95 -62.63 1.53 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -50.03 -43.94 51.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -63.12 -34.03 76.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 tp -71.18 -32.25 68.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.74 -36.73 78.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -88.17 -31.61 19.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.71 -28.42 61.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.059 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.35 11.15 17.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.04 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.4 t 50.39 52.3 15.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.83 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 mt -80.99 156.53 72.15 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.588 0.709 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -47.57 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.64 2.226 . . . . 0.0 112.374 179.844 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 mt -49.17 140.4 12.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.572 0.701 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.442 ' CG ' ' HG3' ' A' ' 49' ' ' ARG . 53.7 Cg_endo -69.85 -171.24 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.639 2.226 . . . . 0.0 112.297 179.888 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.16 -40.58 13.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -67.5 -35.7 79.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 0.0 110.907 -179.79 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.442 ' HG3' ' CG ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -56.44 -50.17 72.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.7 t -63.03 -57.98 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -40.98 65.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -67.11 -51.91 48.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.2 mt -50.51 -35.49 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.115 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.32 -54.96 7.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.58 -34.57 51.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -84.71 -31.15 24.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.3 mt -62.65 -64.1 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -12.96 52.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.839 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.75 -25.54 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.1 p -122.69 51.26 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 50.54 49.56 39.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 179.891 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.434 ' C ' HD13 ' A' ' 63' ' ' LEU . 18.6 m-20 -96.38 -53.53 3.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.814 0.34 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.759 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -97.59 -22.43 16.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 -179.951 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.05 -19.16 65.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.832 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -50.75 -36.99 39.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.944 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.52 5.21 2.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.01 15.45 49.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.501 -179.91 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -129.09 -174.07 3.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.736 0.303 . . . . 0.0 110.852 -179.862 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 41.1 mt -145.52 107.84 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.186 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.8 154.48 39.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.865 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -49.08 -36.97 19.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -52.23 -55.8 18.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.935 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.74 -46.98 67.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.934 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -53.76 -51.14 64.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.1 mm -54.84 -55.66 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -51.69 -35.84 44.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.87 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 49.7 mt -71.88 -40.45 68.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.101 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -68.71 -26.94 65.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.937 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.62 -34.13 19.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.97 -58.38 1.05 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.523 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.7 pp -138.64 134.78 34.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.892 0.377 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.837 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 ptt? . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.815 0.34 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.26 108.74 4.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.148 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.7 144.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.06 170.14 41.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.49 -56.79 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.86 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.709 ' CG2' HD12 ' A' ' 75' ' ' ILE . 4.3 m -51.79 140.98 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.176 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.99 168.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.64 -49.86 66.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -49.98 -60.42 2.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.536 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -59.98 -57.88 10.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.47 -44.0 0.62 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 17.3 tpp -68.51 -49.7 57.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -65.87 -60.59 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.707 ' CD1' HG11 ' A' ' 6' ' ' VAL . 8.3 mt -46.66 -48.99 19.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -44.38 95.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -51.24 -58.03 7.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.44 -55.09 37.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.649 ' HA ' HD22 ' A' ' 37' ' ' LEU . 30.4 t80 -41.11 -56.7 2.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.85 -46.29 60.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -55.45 -28.42 54.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.679 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -108.57 6.0 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.148 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.778 ' HA ' HG22 ' A' ' 29' ' ' ILE . 25.9 t0 -106.28 48.83 0.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.829 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.6 p -81.77 7.12 13.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -61.31 -16.22 43.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.17 12.53 60.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -113.42 -18.17 12.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.14 -20.56 28.33 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -117.66 145.28 44.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 110.92 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.778 HG22 ' HA ' ' A' ' 22' ' ' ASP . 16.9 pt -94.64 177.17 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.195 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.0 m -100.32 167.0 10.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.677 ' HE1' HD23 ' A' ' 63' ' ' LEU . 1.8 m-85 -48.12 -57.99 5.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -53.06 -47.03 68.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.429 ' HB2' ' HB ' ' A' ' 29' ' ' ILE . 38.9 mt-10 -60.31 -39.54 87.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.887 HD22 HD13 ' A' ' 69' ' ' ILE . 11.0 tp -57.46 -63.54 1.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -47.96 -49.99 28.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.82 -34.82 75.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.693 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.1 tp -69.01 -36.68 78.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.747 ' CD1' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -61.59 -48.73 79.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.0 mtpt -75.5 -32.84 60.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.96 -27.04 64.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.06 11.32 16.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.7 t 51.34 55.54 9.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.747 HD23 ' CD1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -90.29 161.27 37.84 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.702 0.763 . . . . 0.0 110.891 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -49.57 0.55 Allowed 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.659 2.24 . . . . 0.0 112.363 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.473 ' N ' HD23 ' A' ' 45' ' ' LEU . 1.4 mt -52.19 140.08 33.93 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.556 0.693 . . . . 0.0 111.02 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.49 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.2 Cg_endo -69.81 -166.63 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.67 2.247 . . . . 0.0 112.347 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.14 -42.01 9.02 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -67.74 -40.74 84.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 110.918 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.49 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -51.39 -47.75 62.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.0 t -66.2 -58.47 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.59 -35.92 43.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.27 -55.34 9.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.944 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.998 HG21 HG23 ' A' ' 77' ' ' ILE . 22.4 mt -49.7 -41.05 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.214 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.534 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -68.48 -61.93 1.62 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.576 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -53.4 -27.06 22.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -87.1 -25.29 24.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.451 ' C ' ' HB2' ' A' ' 62' ' ' ASP . 0.7 OUTLIER -64.86 -62.07 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.956 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.653 ' HB3' HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -73.07 -13.86 61.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.974 179.818 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.576 ' HB2' ' O ' ' A' ' 55' ' ' GLU . . . -49.25 -25.36 2.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.5 p -109.45 -57.89 2.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.206 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 172.56 42.13 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.451 ' HB2' ' C ' ' A' ' 57' ' ' LEU . 0.8 OUTLIER -89.03 -52.89 4.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.772 0.32 . . . . 0.0 110.791 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.732 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -95.8 27.76 3.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -68.09 -10.67 55.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.822 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -26.74 68.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -178.92 -29.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.69 -12.46 22.95 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.544 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -74.78 -168.78 0.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.887 HD13 HD22 ' A' ' 34' ' ' LEU . 58.9 mt -148.34 105.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.27 155.72 25.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -45.16 -38.41 5.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -54.36 -52.32 62.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.45 -46.68 83.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.544 ' HZ ' HD21 ' A' ' 43' ' ' LEU . 8.7 t80 -52.91 -51.07 62.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.709 HD12 ' CG2' ' A' ' 6' ' ' VAL . 41.9 mm -57.59 -58.87 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.7 -27.48 28.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.998 HG23 HG21 ' A' ' 53' ' ' ILE . 32.8 mt -81.57 -36.53 14.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -68.21 -35.86 78.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -90.14 -34.4 15.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 57.98 49.49 74.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.512 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 mt -140.53 135.03 31.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.37 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.973 179.799 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.798 0.332 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.25 150.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -139.12 142.5 38.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.72 79.46 0.1 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.562 ' HB3' HG21 ' A' ' 75' ' ' ILE . 1.3 m -155.3 -169.63 3.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.943 0.401 . . . . 0.0 110.856 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.833 HG13 HG23 ' A' ' 75' ' ' ILE . 5.6 m -51.32 151.59 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.093 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.23 165.1 2.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.822 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.9 -48.45 67.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -51.13 -60.44 3.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.657 ' HG2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -61.42 -58.15 9.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -37.03 -44.06 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.843 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.1 tpp -68.88 -52.09 33.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.34 -60.75 2.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.657 HD11 ' HG2' ' A' ' 10' ' ' GLU . 14.2 mt -45.99 -50.2 15.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -47.43 82.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.4 -61.4 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.92 -55.36 27.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.06 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.723 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 12.5 t80 -41.39 -55.3 2.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.28 -46.73 55.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -55.9 -26.29 46.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.661 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -110.0 6.2 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.124 179.844 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.583 ' HA ' HG22 ' A' ' 29' ' ' ILE . 11.1 t0 -86.53 81.15 8.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -56.14 -42.41 76.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.2 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -61.56 -25.99 67.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.816 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.53 4.43 45.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -114.46 21.43 14.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.925 0.393 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.4 29.73 29.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -126.24 135.22 51.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.907 0.384 . . . . 0.0 110.958 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.723 HG23 ' CZ ' ' A' ' 18' ' ' PHE . 49.6 pt -134.59 144.45 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.165 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.2 t -78.81 166.93 21.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.585 ' CZ ' HG22 ' A' ' 54' ' ' THR . 2.4 m-85 -46.4 -58.34 3.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -53.14 -46.71 68.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.4 ' HB2' ' HB ' ' A' ' 29' ' ' ILE . 29.7 mt-10 -60.06 -39.36 85.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.933 HD22 HD13 ' A' ' 69' ' ' ILE . 14.8 tp -57.99 -61.23 2.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -48.65 -46.9 40.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.69 -33.58 75.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.695 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.4 tp -70.76 -34.56 71.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.862 ' CD2' HD12 ' A' ' 43' ' ' LEU . 0.8 OUTLIER -67.01 -39.26 87.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -83.53 -36.9 23.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.41 -30.48 70.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.85 9.87 20.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.5 m 51.47 54.36 11.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.862 HD12 ' CD2' ' A' ' 38' ' ' PHE . 2.4 mt -83.15 156.59 66.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.653 0.74 . . . . 0.0 110.816 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 43' ' ' LEU . 53.8 Cg_endo -69.8 -48.56 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.483 ' N ' HD23 ' A' ' 45' ' ' LEU . 2.7 mt -49.2 140.95 11.93 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.65 0.738 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.486 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.8 Cg_endo -69.81 -169.57 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.37 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.92 -40.76 10.2 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.541 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.41 ' CZ ' ' HG3' ' A' ' 46' ' ' PRO . 55.5 p90 -67.72 -38.86 84.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.887 0.375 . . . . 0.0 110.913 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.486 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -54.93 -51.42 66.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 42.8 t -62.1 -60.2 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -41.71 60.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -67.24 -52.12 44.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.849 HG21 HG23 ' A' ' 77' ' ' ILE . 23.6 mt -51.26 -42.9 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.585 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -67.27 -62.2 1.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.717 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -53.91 -25.66 21.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -87.42 -25.53 23.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.521 HD23 HD11 ' A' ' 63' ' ' LEU . 1.1 tp -65.76 -61.8 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.62 ' HB3' ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -75.32 -12.9 60.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.717 ' HB2' ' O ' ' A' ' 55' ' ' GLU . . . -48.75 -25.82 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.106 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.7 p -108.51 -58.18 2.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 172.83 41.93 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.557 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.427 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -88.69 -53.32 4.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.857 0.361 . . . . 0.0 110.874 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.743 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -96.05 26.83 3.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -62.71 -15.05 51.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -60.56 -31.4 70.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.1 -27.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.2 -10.87 20.04 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.465 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.48 -173.13 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 110.853 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.933 HD13 HD22 ' A' ' 34' ' ' LEU . 78.2 mt -145.99 108.33 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.214 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.58 155.21 27.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -46.19 -35.82 5.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -55.2 -55.29 32.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -54.54 -48.54 71.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.694 ' HZ ' HD11 ' A' ' 43' ' ' LEU . 9.6 t80 -51.82 -52.25 50.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.833 HG23 HG13 ' A' ' 6' ' ' VAL . 45.8 mm -56.31 -54.25 30.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.116 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.6 tttp -49.9 -37.93 33.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.849 HG23 HG21 ' A' ' 53' ' ' ILE . 84.1 mt -72.66 -37.42 55.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.133 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.582 ' HD1' HD13 ' A' ' 43' ' ' LEU . 55.2 t80 -69.14 -26.23 64.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.23 -34.72 17.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 62.23 57.35 17.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.478 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.2 mt -138.22 121.45 16.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.973 0.416 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 179.837 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 mtt . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.832 0.349 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.84 126.36 5.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -172.39 178.17 2.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.05 147.72 41.07 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.462 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.1 p -174.69 -175.98 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 110.916 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.804 ' HB ' HG23 ' A' ' 75' ' ' ILE . 1.2 p -56.29 156.02 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.11 149.99 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.02 -55.96 17.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.17 -60.14 2.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.533 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -56.15 -56.07 25.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.844 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.08 -43.89 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 30.8 ttp -68.39 -46.97 68.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -68.18 -59.97 2.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.556 HD13 ' HE2' ' A' ' 74' ' ' PHE . 8.6 mt -46.93 -47.97 21.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.52 -46.38 90.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.54 -59.53 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.407 ' HB3' ' CD1' ' A' ' 37' ' ' LEU . . . -61.33 -53.68 53.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.073 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.641 ' HA ' HD22 ' A' ' 37' ' ' LEU . 29.6 t80 -41.57 -56.01 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.01 -46.36 61.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -55.38 -27.72 49.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.663 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -108.43 5.22 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.677 ' HA ' HG22 ' A' ' 29' ' ' ILE . 25.4 t0 -107.55 46.88 0.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.8 t -82.55 7.22 15.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -60.7 -17.0 45.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.43 11.94 72.51 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -113.17 -18.27 12.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.86 0.362 . . . . 0.0 110.836 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.49 -22.42 28.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.502 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -114.45 146.04 41.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.891 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.677 HG22 ' HA ' ' A' ' 22' ' ' ASP . 21.2 pt -94.48 175.83 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.405 ' HB3' ' HG2' ' A' ' 33' ' ' GLU . 16.9 t -100.84 164.65 11.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.661 ' CZ ' HG22 ' A' ' 54' ' ' THR . 0.8 OUTLIER -45.57 -58.85 3.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -53.31 -46.82 69.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.405 ' HG2' ' HB3' ' A' ' 30' ' ' SER . 1.1 mm-40 -59.01 -40.9 86.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.81 HD22 HD13 ' A' ' 69' ' ' ILE . 6.8 tp -56.01 -62.49 1.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.957 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -48.84 -46.38 42.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.4 -33.74 76.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.4 tp -67.2 -39.16 86.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.722 ' HA ' HD23 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -63.69 -48.48 76.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -68.69 -33.32 73.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.76 -26.33 54.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.9 ' HB3' HD22 ' A' ' 43' ' ' LEU . . . -82.44 -5.41 58.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.162 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.5 t 64.27 38.52 7.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.9 HD22 ' HB3' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -69.31 159.93 81.18 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.574 0.702 . . . . 0.0 110.936 -179.883 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -32.51 18.7 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.654 2.236 . . . . 0.0 112.396 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.492 ' N ' HD23 ' A' ' 45' ' ' LEU . 2.2 mt -69.6 142.75 91.95 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.931 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.47 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.9 Cg_endo -69.75 -169.69 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.605 2.203 . . . . 0.0 112.36 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.24 -39.46 12.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.466 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -69.32 -36.94 77.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.92 0.39 . . . . 0.0 110.906 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.47 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -55.56 -54.04 48.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.538 HG21 ' CG ' ' A' ' 38' ' ' PHE . 47.9 t -62.34 -51.74 68.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.09 -44.6 75.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.83 -46.82 67.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.59 HG21 HG23 ' A' ' 77' ' ' ILE . 23.1 mt -50.95 -43.49 25.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.052 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.661 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -72.31 -58.6 3.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.701 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -51.32 -34.1 31.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -87.49 -22.25 25.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.832 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.78 HD11 HG12 ' A' ' 77' ' ' ILE . 3.4 mt -63.49 -61.45 2.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.566 ' HB3' ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -82.68 -8.17 59.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.864 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 55' ' ' GLU . . . -46.35 -27.2 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 p -105.51 -57.63 2.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 172.88 44.41 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.578 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.564 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -90.95 -55.71 3.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.804 0.335 . . . . 0.0 110.828 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.723 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -94.74 17.3 13.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.08 -18.99 28.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -52.22 -32.4 36.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -171.05 -32.76 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.5 -15.79 19.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -73.41 -172.73 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.736 0.303 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.81 HD13 HD22 ' A' ' 34' ' ' LEU . 98.3 mt -148.29 104.69 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.08 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.26 154.97 25.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.776 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -46.05 -34.23 3.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -55.57 -56.38 20.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.91 -47.08 81.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.556 ' HE2' HD13 ' A' ' 14' ' ' LEU . 10.9 t80 -52.89 -49.56 65.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.804 HG23 ' HB ' ' A' ' 6' ' ' VAL . 32.3 mm -58.15 -60.64 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -38.83 60.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.78 HG12 HD11 ' A' ' 57' ' ' LEU . 26.4 mt -65.63 -37.33 79.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.179 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.511 ' CZ ' HD12 ' A' ' 43' ' ' LEU . 19.8 t80 -66.81 -53.31 34.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -34.64 75.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 89.86 -60.7 3.48 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.533 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.4 mp -136.59 106.2 6.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.87 0.367 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.4 pttp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.873 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.792 0.329 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.97 118.74 23.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.041 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -151.51 -175.99 5.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.74 171.23 0.33 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.459 ' HA ' HG21 ' A' ' 75' ' ' ILE . 68.4 m -141.97 155.75 45.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.948 0.404 . . . . 0.0 110.835 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.849 HG13 HG23 ' A' ' 75' ' ' ILE . 1.4 m -119.76 153.0 22.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.087 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.31 165.28 1.49 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.62 -47.75 66.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -52.51 -60.85 2.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.654 ' HG2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -62.15 -59.39 5.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.824 -179.86 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -37.08 -44.03 0.51 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 34.8 tpp -68.97 -50.04 52.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -67.08 -61.22 2.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.654 HD11 ' HG2' ' A' ' 10' ' ' GLU . 10.4 mt -45.62 -47.68 14.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -46.68 87.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -50.52 -60.1 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.841 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.02 -55.54 33.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.646 ' HA ' HD22 ' A' ' 37' ' ' LEU . 30.1 t80 -41.13 -55.93 2.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.75 -46.85 59.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 mtmm -55.15 -28.38 52.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.674 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -107.58 5.43 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.116 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.732 ' HA ' HG22 ' A' ' 29' ' ' ILE . 27.9 t70 -109.48 46.59 0.99 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.0 t -81.94 5.37 19.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -62.34 -15.98 51.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.0 17.29 67.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -113.51 -19.45 11.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.941 0.4 . . . . 0.0 110.946 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.67 -23.28 24.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.473 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -116.02 151.45 35.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.857 0.361 . . . . 0.0 110.914 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.732 HG22 ' HA ' ' A' ' 22' ' ' ASP . 15.0 pt -104.66 152.91 6.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.1 t -72.78 164.16 27.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.781 ' CE1' HD23 ' A' ' 63' ' ' LEU . 1.1 m-85 -47.98 -58.3 4.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -51.96 -45.38 64.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -59.54 -41.09 89.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.637 HD22 HD13 ' A' ' 69' ' ' ILE . 7.8 tp -56.68 -62.83 1.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -47.66 -47.65 29.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.84 -36.91 82.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.846 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.696 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -64.6 -41.99 95.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.977 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.696 ' CE2' HD12 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -55.69 -55.19 35.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -69.6 -33.94 73.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.03 -28.93 68.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.101 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.416 ' HB3' HD23 ' A' ' 43' ' ' LEU . . . -95.78 18.71 12.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.2 t 51.73 57.23 6.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.696 HD12 ' CE2' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -81.43 152.24 69.99 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 110.894 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.511 ' HD2' HD13 ' A' ' 43' ' ' LEU . 54.1 Cg_endo -69.73 -45.49 1.59 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.342 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.492 ' N ' HD23 ' A' ' 45' ' ' LEU . 2.8 mt -60.25 146.29 84.06 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.537 0.684 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.465 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 54.0 Cg_endo -69.76 -168.48 0.28 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.69 2.26 . . . . 0.0 112.328 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.06 -40.5 11.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -68.67 -36.75 78.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.909 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.465 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -56.69 -52.1 66.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.843 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 40.9 t -62.5 -56.34 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.166 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.29 -39.4 66.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.812 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -69.78 -51.59 32.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.856 HG21 HG23 ' A' ' 77' ' ' ILE . 22.5 mt -50.23 -43.81 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.07 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.637 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -68.45 -57.76 5.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.43 -28.65 31.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.81 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -87.19 -26.02 23.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.86 HD23 HD11 ' A' ' 63' ' ' LEU . 2.6 tp -63.52 -61.17 2.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.648 ' HB3' ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -73.0 -8.66 56.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.6 -24.72 1.43 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.3 t -108.73 -17.55 13.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.196 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 126.25 20.59 1.98 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.509 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.428 ' H ' ' HA ' ' A' ' 58' ' ' MET . 2.1 m-20 -64.69 -53.9 40.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.781 0.324 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.86 HD11 HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -93.78 -5.27 48.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -51.54 -22.25 3.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -47.06 -52.5 14.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.28 -26.87 0.99 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.78 -37.46 3.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.47 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.28 -172.47 2.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.844 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.637 HD13 HD22 ' A' ' 34' ' ' LEU . 6.2 mt -139.11 117.99 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.32 154.24 29.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.475 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 4.7 t80 -45.06 -38.84 5.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.82 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -53.11 -52.87 57.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.422 ' HB3' HG23 ' A' ' 69' ' ' ILE . 2.0 mm-40 -57.39 -43.1 83.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.569 ' HE2' HD13 ' A' ' 14' ' ' LEU . 11.7 t80 -56.24 -48.91 75.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.849 HG23 HG13 ' A' ' 6' ' ' VAL . 50.8 mm -59.79 -57.08 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.84 -33.96 51.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.933 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.856 HG23 HG21 ' A' ' 53' ' ' ILE . 57.8 mt -73.55 -39.3 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.407 ' CE2' HD13 ' A' ' 43' ' ' LEU . 48.0 t80 -64.52 -39.19 93.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.99 -34.57 38.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 57.37 22.44 44.57 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.478 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.3 pp -135.72 130.66 34.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.854 0.359 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 ttp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.811 0.339 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -172.09 176.52 3.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -174.44 136.59 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.26 75.84 0.22 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.448 ' HB3' HG21 ' A' ' 75' ' ' ILE . 12.9 m -158.39 -169.44 2.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.368 . . . . 0.0 110.883 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.631 ' CG2' HD12 ' A' ' 75' ' ' ILE . 3.2 m -50.25 153.08 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.72 172.73 7.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.77 -46.11 85.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -53.31 -60.22 3.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.753 ' HG2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -64.0 -62.07 1.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.896 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.587 ' HB2' HG23 ' A' ' 6' ' ' VAL . 1.2 tpp -37.28 -42.75 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 47.2 mmm -68.28 -50.31 54.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.36 -60.22 2.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.753 HD11 ' HG2' ' A' ' 10' ' ' GLU . 12.2 mt -46.04 -47.87 16.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -47.63 85.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -50.46 -60.06 3.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.08 -54.44 46.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.714 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 11.4 t80 -41.73 -55.65 2.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.22 -46.09 54.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -56.23 -26.35 50.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.647 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -109.21 5.8 9.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.475 ' HA ' HG22 ' A' ' 29' ' ' ILE . 9.8 t0 -84.85 79.64 9.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 53.7 p -55.74 -41.96 74.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.027 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.56 -25.83 67.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.07 3.81 46.3 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -114.17 21.74 14.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.76 30.31 29.75 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.572 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -125.42 138.72 54.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 0.0 110.916 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.714 HG23 ' CZ ' ' A' ' 18' ' ' PHE . 49.7 pt -136.26 144.64 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.185 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.419 ' HB3' ' HG2' ' A' ' 33' ' ' GLU . 15.2 t -78.5 164.56 24.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.777 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.629 ' CZ ' HG22 ' A' ' 54' ' ' THR . 1.3 m-85 -45.29 -58.22 3.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.833 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -53.79 -46.88 71.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.419 ' HG2' ' HB3' ' A' ' 30' ' ' SER . 1.2 mm-40 -58.88 -40.16 83.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.767 HD22 HD13 ' A' ' 69' ' ' ILE . 9.0 tp -56.94 -63.82 1.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -47.32 -46.74 25.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.75 -37.78 87.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.713 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.4 tp -64.46 -40.71 96.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.694 ' CE1' HD12 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -57.19 -55.43 34.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.822 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -69.13 -37.55 78.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.16 -31.29 71.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.16 18.37 10.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.5 t 51.53 59.0 4.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.694 HD12 ' CE1' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -82.31 152.22 67.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.599 0.714 . . . . 0.0 110.896 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.53 ' HD2' HD13 ' A' ' 43' ' ' LEU . 53.6 Cg_endo -69.91 -46.88 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.654 2.236 . . . . 0.0 112.314 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.473 ' N ' HD23 ' A' ' 45' ' ' LEU . 3.0 mt -57.59 146.25 65.83 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.631 0.729 . . . . 0.0 110.945 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.458 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.6 Cg_endo -69.83 -168.95 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.64 2.227 . . . . 0.0 112.334 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.8 -39.95 12.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.468 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -69.11 -36.85 77.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.974 0.416 . . . . 0.0 110.924 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.47 ' HD2' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -56.17 -51.93 66.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.877 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.8 t -63.46 -56.49 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.74 -37.62 63.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -70.84 -52.97 17.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.941 HG21 HG23 ' A' ' 77' ' ' ILE . 22.8 mt -49.36 -40.3 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.629 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -72.04 -58.3 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.666 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -51.9 -33.82 38.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -87.55 -22.31 24.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.607 HD11 HG12 ' A' ' 77' ' ' ILE . 3.5 mt -63.39 -59.65 4.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.557 ' HA ' ' H ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -83.98 -8.2 59.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 179.767 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.666 ' HB2' ' O ' ' A' ' 55' ' ' GLU . . . -46.41 -26.97 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.068 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.7 p -105.14 -58.03 1.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.175 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.19 44.76 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.557 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -91.99 -54.56 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 110.842 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.733 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -97.88 17.95 16.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.22 -18.03 33.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -50.75 -30.31 13.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -177.22 -26.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.12 -9.53 20.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.43 -178.89 6.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.809 0.338 . . . . 0.0 110.866 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.767 HD13 HD22 ' A' ' 34' ' ' LEU . 75.4 mt -143.45 108.4 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.58 155.8 29.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.811 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.406 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 4.5 t80 -47.32 -38.38 12.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -52.82 -54.17 38.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.42 -44.08 80.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.543 ' HE2' HD13 ' A' ' 14' ' ' LEU . 10.6 t80 -56.52 -46.17 80.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.631 HD12 ' CG2' ' A' ' 6' ' ' VAL . 44.0 mm -59.86 -55.91 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.09 -40.13 63.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.961 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.941 HG23 HG21 ' A' ' 53' ' ' ILE . 24.7 mt -64.49 -44.33 96.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.415 ' CE1' HD13 ' A' ' 43' ' ' LEU . 60.5 t80 -62.88 -34.4 77.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.813 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.38 -35.17 63.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 60.23 55.43 30.21 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.6 mt -140.09 134.1 30.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.903 0.382 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 mtm . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.75 0.31 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.37 -173.57 3.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -102.62 -74.87 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.4 146.99 21.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -114.32 103.63 11.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.895 0.379 . . . . 0.0 110.798 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.573 ' HB ' HG23 ' A' ' 75' ' ' ILE . 0.3 OUTLIER -164.89 152.8 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.852 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.428 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.9 OUTLIER -55.06 147.45 15.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 -179.835 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.29 -52.55 26.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.876 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -49.02 -59.75 3.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.516 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -57.43 -56.59 19.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.863 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.443 ' SD ' HG12 ' A' ' 6' ' ' VAL . 10.4 tpt -38.05 -44.5 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -68.34 -47.79 66.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -67.65 -60.9 2.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.578 HD13 ' HE2' ' A' ' 74' ' ' PHE . 8.2 mt -46.29 -48.05 18.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -47.39 86.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -49.89 -58.44 5.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.26 -54.48 43.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.048 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.657 ' HA ' HD22 ' A' ' 37' ' ' LEU . 31.0 t80 -41.39 -56.61 2.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.72 -46.25 58.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -55.67 -28.91 58.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.661 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -107.6 5.61 9.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.1 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.801 ' HA ' HG22 ' A' ' 29' ' ' ILE . 25.2 t0 -106.44 49.08 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.9 t -81.89 7.47 12.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -61.16 -16.57 45.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.31 11.93 60.07 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.544 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -113.37 -18.4 12.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.88 0.372 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.01 -14.89 33.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.499 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -123.26 145.02 49.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.355 . . . . 0.0 110.937 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.801 HG22 ' HA ' ' A' ' 22' ' ' ASP . 14.9 pt -95.21 177.01 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.106 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.1 t -99.83 166.99 10.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.605 ' CZ ' HG22 ' A' ' 54' ' ' THR . 1.3 m-85 -47.21 -58.62 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -53.06 -46.01 68.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.938 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.413 ' HB2' ' HB ' ' A' ' 29' ' ' ILE . 38.4 mt-10 -59.21 -39.52 82.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.8 HD22 HD13 ' A' ' 69' ' ' ILE . 7.5 tp -57.78 -62.9 1.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -47.55 -48.27 27.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -36.6 82.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.699 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.3 tp -65.18 -42.16 93.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.669 ' CE1' HD12 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -56.27 -54.41 45.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.0 mtpt -69.53 -38.0 77.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.951 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.16 -31.12 71.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.63 18.54 11.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.2 t 50.5 58.92 4.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.669 HD12 ' CE1' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -81.3 151.75 69.76 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.612 0.72 . . . . 0.0 110.929 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.534 ' HD2' HD13 ' A' ' 43' ' ' LEU . 53.9 Cg_endo -69.74 -46.77 1.11 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.673 2.248 . . . . 0.0 112.401 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.484 ' N ' HD23 ' A' ' 45' ' ' LEU . 2.7 mt -57.29 145.37 67.29 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.654 0.74 . . . . 0.0 110.937 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.466 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.1 Cg_endo -69.85 -168.59 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.294 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.64 -42.79 9.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -66.29 -38.28 87.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.363 . . . . 0.0 110.946 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.466 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -54.91 -58.79 6.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 45.8 t -56.36 -50.86 69.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -56.88 14.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -45.61 80.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.716 HG21 HG23 ' A' ' 77' ' ' ILE . 28.4 mt -52.74 -47.9 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.101 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.605 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -67.16 -59.6 3.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.705 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -52.65 -28.6 22.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -87.25 -24.76 24.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.57 HD23 HD11 ' A' ' 63' ' ' LEU . 1.1 tp -64.28 -61.69 2.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.603 ' HB3' ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -76.36 -13.49 60.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.827 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' A' ' 55' ' ' GLU . . . -48.99 -25.13 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.2 p -108.73 -57.93 2.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 172.21 43.32 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.502 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.454 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -90.87 -53.46 4.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.812 0.339 . . . . 0.0 110.887 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.746 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -96.04 16.24 18.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -52.37 -22.33 4.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.816 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -49.74 -32.52 13.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -176.65 -29.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.46 -1.84 22.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.503 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.1 mmt-85 -83.38 -169.19 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.8 HD13 HD22 ' A' ' 34' ' ' LEU . 80.3 mt -148.59 105.27 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.05 154.16 25.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -46.12 -35.0 4.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -56.97 -53.98 51.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -57.98 -45.87 86.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.578 ' HE2' HD13 ' A' ' 14' ' ' LEU . 13.1 t80 -52.85 -51.11 62.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.573 HG23 ' HB ' ' A' ' 6' ' ' VAL . 34.1 mm -57.66 -58.21 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.54 -32.6 28.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.716 HG23 HG21 ' A' ' 53' ' ' ILE . 26.2 mt -73.31 -39.01 55.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.413 ' CE1' HD13 ' A' ' 43' ' ' LEU . 60.0 t80 -65.5 -37.71 87.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.425 ' CE1' ' HA ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -80.23 -34.51 37.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.8 -56.37 2.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.542 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.04 177.63 7.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.827 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.839 0.352 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.13 -75.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? 55.56 74.34 0.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.66 99.04 1.53 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.522 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.458 ' HB2' HG21 ' A' ' 75' ' ' ILE . 4.5 p -177.45 -176.09 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.963 0.411 . . . . 0.0 110.872 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.713 ' CG2' HD12 ' A' ' 75' ' ' ILE . 3.6 m -51.15 146.1 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.1 171.88 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.813 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.98 -48.52 73.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.929 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.33 -60.16 3.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.584 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -60.87 -61.76 2.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.436 ' HB2' HG23 ' A' ' 6' ' ' VAL . 2.8 tpt -37.43 -42.37 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.99 -48.67 65.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.925 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -67.55 -59.29 3.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.647 ' CD1' HG11 ' A' ' 6' ' ' VAL . 5.6 mt -47.57 -48.36 28.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -45.94 91.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -50.24 -60.43 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.64 -55.04 40.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.635 ' HA ' HD22 ' A' ' 37' ' ' LEU . 27.5 t80 -41.14 -56.09 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.95 -46.34 61.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -55.21 -28.69 54.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.661 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -107.55 5.37 9.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.796 ' HA ' HG22 ' A' ' 29' ' ' ILE . 25.8 t0 -105.3 50.7 0.77 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.0 p -81.45 6.64 14.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -61.59 -16.51 48.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.23 12.1 57.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -113.65 -17.37 12.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 0.0 110.867 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.62 -21.01 26.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.488 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -116.21 145.0 43.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 0.0 110.883 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.796 HG22 ' HA ' ' A' ' 22' ' ' ASP . 20.9 pt -94.59 177.34 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.154 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.423 ' HB3' ' HG2' ' A' ' 33' ' ' GLU . 11.3 t -98.94 161.47 13.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.674 ' CZ ' HD23 ' A' ' 63' ' ' LEU . 9.6 m-85 -45.34 -55.23 6.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -55.17 -45.54 75.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.423 ' HG2' ' HB3' ' A' ' 30' ' ' SER . 1.4 mm-40 -61.33 -39.33 90.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.623 HD22 HD13 ' A' ' 69' ' ' ILE . 9.0 tp -57.65 -62.73 1.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -49.64 -47.54 49.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -63.18 -33.61 75.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.669 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.5 tp -68.66 -36.32 78.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.772 ' CD2' HD23 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -63.99 -53.22 53.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -66.38 -42.71 87.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.92 -20.9 65.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.46 5.64 30.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.9 t 56.16 26.38 10.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.772 HD23 ' CD2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -62.84 158.84 49.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.583 0.706 . . . . 0.0 110.929 -179.892 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.425 ' HD2' ' CE2' ' A' ' 78' ' ' PHE . 54.2 Cg_endo -69.76 -48.22 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.389 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.487 HD13 ' HD2' ' A' ' 49' ' ' ARG . 1.3 mt -49.27 139.51 13.68 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.566 0.698 . . . . 0.0 110.965 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.456 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.3 Cg_endo -69.84 -169.54 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.647 2.232 . . . . 0.0 112.311 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.8 -40.33 12.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -68.32 -36.48 79.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.846 0.355 . . . . 0.0 110.967 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.487 ' HD2' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -55.94 -49.05 74.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.913 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 37.8 t -64.66 -57.64 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.06 -42.1 65.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -65.82 -51.19 61.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.974 HG21 HG23 ' A' ' 77' ' ' ILE . 26.1 mt -50.61 -35.96 13.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.123 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.496 HG21 HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -72.78 -56.58 5.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.15 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -33.75 31.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.491 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 49.2 t30 -85.53 -30.59 23.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.655 HD11 HG12 ' A' ' 77' ' ' ILE . 6.1 mt -62.47 -64.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.622 ' HB3' ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -64.53 -12.86 48.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.813 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 56' ' ' ASN . . . -47.81 -25.45 1.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.0 p -122.79 51.11 1.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.153 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 50.7 48.95 42.31 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.449 ' C ' HD12 ' A' ' 63' ' ' LEU . 1.5 m-20 -95.55 -53.59 3.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.349 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.75 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -97.4 9.54 42.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -89.58 -14.25 35.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -50.43 -34.67 25.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.59 1.27 1.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.81 5.4 64.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.1 mmt85 -123.41 -167.62 1.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.845 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.623 HD13 HD22 ' A' ' 34' ' ' LEU . 24.4 mt -144.92 111.94 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.112 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.81 156.02 27.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.487 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 5.4 t80 -48.21 -33.93 9.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -54.8 -56.38 19.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -55.24 -43.15 74.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.516 ' HZ ' HD21 ' A' ' 43' ' ' LEU . 10.8 t80 -55.45 -51.74 65.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.888 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.713 HD12 ' CG2' ' A' ' 6' ' ' VAL . 45.0 mm -56.59 -57.51 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -50.91 -37.97 47.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.974 HG23 HG21 ' A' ' 53' ' ' ILE . 22.4 mt -65.66 -52.2 53.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.095 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.425 ' CE2' ' HD2' ' A' ' 44' ' ' PRO . 15.8 t80 -59.86 -52.12 66.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.39 -35.02 73.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 55.91 34.24 61.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.456 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.0 mt -138.01 125.17 21.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.34 . . . . 0.0 110.954 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.3 mttp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.852 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.782 0.325 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.75 163.68 31.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.068 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.73 154.04 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.72 72.47 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.492 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.462 ' HB2' HG21 ' A' ' 75' ' ' ILE . 2.3 m -134.06 -66.74 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.361 . . . . 0.0 110.866 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.795 ' HB ' HG23 ' A' ' 75' ' ' ILE . 0.4 OUTLIER -69.82 153.21 8.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.432 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.6 OUTLIER -49.26 153.93 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.851 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.82 -56.62 15.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -47.43 -60.27 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.555 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.05 -54.39 45.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.889 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.3 -45.06 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.6 mtp -67.75 -46.62 71.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.71 -60.49 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.825 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 7.8 mt -46.95 -47.31 21.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -46.43 90.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.72 -58.06 6.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.41 -55.09 39.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.719 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 11.8 t80 -41.7 -55.55 2.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.08 -46.34 53.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.035 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -56.19 -26.35 50.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.651 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -110.17 6.29 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.068 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.454 ' HA ' HG22 ' A' ' 29' ' ' ILE . 11.3 t0 -86.96 79.66 8.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 t -55.86 -41.38 74.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -62.12 -26.22 68.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.12 4.32 48.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -114.02 22.24 14.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.943 0.401 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.81 31.47 32.49 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.463 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -126.47 137.34 53.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.861 0.363 . . . . 0.0 110.937 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.719 HG23 ' CZ ' ' A' ' 18' ' ' PHE . 50.9 pt -136.32 150.84 27.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.8 t -83.28 164.85 19.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.609 ' HE1' HD23 ' A' ' 63' ' ' LEU . 1.9 m-85 -45.51 -57.41 4.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -54.02 -46.72 71.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.73 -39.0 83.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.871 HD22 HD13 ' A' ' 69' ' ' ILE . 9.9 tp -57.53 -63.69 1.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -47.79 -48.44 30.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -62.13 -36.3 81.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.849 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.675 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.5 tp -68.62 -36.39 78.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.762 ' CD1' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -61.98 -49.03 77.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt -74.55 -37.85 62.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.69 -28.39 69.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.0 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.48 10.69 16.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.075 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.0 t 51.05 54.92 10.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.827 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.762 HD23 ' CD1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -88.66 161.39 42.09 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.635 0.731 . . . . 0.0 110.916 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -49.47 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.686 2.257 . . . . 0.0 112.364 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.454 ' N ' HD23 ' A' ' 45' ' ' LEU . 1.4 mt -52.0 140.35 31.35 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.637 0.732 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.478 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.3 Cg_endo -69.79 -167.72 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.247 . . . . 0.0 112.277 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.58 -41.18 9.17 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.435 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.413 ' CZ ' ' HG3' ' A' ' 46' ' ' PRO . 54.7 p90 -67.88 -40.61 83.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.9 0.381 . . . . 0.0 110.955 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.478 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -52.92 -47.44 68.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 40.3 t -65.87 -57.2 11.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.74 -43.16 62.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.56 -53.83 41.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.982 HG21 HG23 ' A' ' 77' ' ' ILE . 29.6 mt -48.75 -41.39 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.068 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.579 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -67.83 -60.76 2.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.17 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.685 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -53.64 -26.88 24.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -86.93 -25.33 24.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.536 HD23 HD11 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -65.43 -61.93 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.619 ' HB3' ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -74.95 -13.02 60.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 179.798 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 55' ' ' GLU . . . -48.86 -25.49 1.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.4 p -108.99 -58.04 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.165 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 172.82 42.48 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.445 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -89.42 -53.36 4.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 110.816 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.74 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -95.9 29.37 2.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -68.65 -10.33 55.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.808 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -26.87 67.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.79 -28.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.95 -13.78 21.92 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.508 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 49.2 mtm180 -72.13 -169.83 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 110.842 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.871 HD13 HD22 ' A' ' 34' ' ' LEU . 86.7 mt -146.75 105.89 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.25 155.61 28.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -47.65 -34.59 8.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -57.26 -52.65 64.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -57.66 -48.07 80.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.555 ' HE1' HD13 ' A' ' 14' ' ' LEU . 10.7 t80 -52.97 -50.58 63.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.793 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.795 HG23 ' HB ' ' A' ' 6' ' ' VAL . 30.4 mm -56.26 -60.47 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -53.34 -32.21 48.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.982 HG23 HG21 ' A' ' 53' ' ' ILE . 27.5 mt -72.41 -40.95 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.135 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -64.91 -41.42 95.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.428 ' CE1' ' HA ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -74.84 -34.76 62.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 55.93 44.15 87.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.515 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 mt -140.48 129.86 23.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.845 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.829 0.347 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.64 -69.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -96.19 -172.54 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.67 149.06 9.77 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.544 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.19 -57.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.922 0.392 . . . . 0.0 110.858 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.878 HG13 HG23 ' A' ' 75' ' ' ILE . 6.4 m -51.11 152.26 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.156 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 26.6 p -60.88 166.42 3.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.778 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.97 -48.72 67.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.85 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -50.96 -60.64 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.645 ' HG2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -61.28 -58.53 7.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -36.89 -44.14 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.0 mmt -68.99 -51.64 37.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.82 -60.79 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.645 HD11 ' HG2' ' A' ' 10' ' ' GLU . 12.1 mt -46.08 -48.87 17.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -42.74 95.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.98 -53.23 58.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.2 -56.93 12.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.602 ' HA ' HD22 ' A' ' 37' ' ' LEU . 29.6 t80 -41.25 -55.27 2.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.8 -46.72 59.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.058 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -55.32 -28.31 52.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.644 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -107.12 5.17 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.104 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.72 ' HA ' HG22 ' A' ' 29' ' ' ILE . 27.8 t70 -110.25 45.45 1.12 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.2 t -83.16 7.06 17.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.03 -21.5 61.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.802 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.65 12.47 84.45 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.503 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -113.61 -19.63 11.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.88 0.371 . . . . 0.0 110.856 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.45 -32.62 6.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.539 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -107.78 145.34 33.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.856 0.36 . . . . 0.0 110.945 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.72 HG22 ' HA ' ' A' ' 22' ' ' ASP . 11.4 pt -94.59 177.92 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.145 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.0 t -99.22 164.83 11.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.615 ' CZ ' HG22 ' A' ' 54' ' ' THR . 2.1 m-85 -46.09 -58.74 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -52.19 -46.5 65.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.05 -40.77 90.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.817 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.906 HD22 HD13 ' A' ' 69' ' ' ILE . 13.1 tp -56.77 -62.47 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -48.66 -48.62 39.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -60.69 -33.6 73.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.682 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.5 tp -71.22 -34.1 70.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.832 ' CD2' HD12 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -67.07 -38.05 85.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -85.49 -32.11 22.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.25 -27.51 62.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.0 12.5 15.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.059 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 94.2 m 50.32 48.93 21.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.832 HD12 ' CD2' ' A' ' 38' ' ' PHE . 7.0 mt -80.38 156.91 73.41 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.699 0.762 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 43' ' ' LEU . 52.9 Cg_endo -69.73 -48.6 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.281 . . . . 0.0 112.309 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.474 ' N ' HD23 ' A' ' 45' ' ' LEU . 3.0 mt -48.5 140.15 10.41 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.606 0.717 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.495 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 52.9 Cg_endo -69.85 -169.72 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.683 2.255 . . . . 0.0 112.229 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.97 -39.92 11.11 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -68.64 -39.14 80.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.495 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -53.5 -49.95 66.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.2 t -65.34 -60.7 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.133 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.97 -37.05 30.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -72.42 -54.65 8.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.873 HG21 HG23 ' A' ' 77' ' ' ILE . 25.0 mt -48.65 -39.11 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.615 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -72.61 -59.27 2.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.66 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -51.81 -33.58 36.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -87.74 -22.08 24.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.539 ' CD1' HD11 ' A' ' 77' ' ' ILE . 2.4 mt -62.87 -62.1 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.588 ' HB3' ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -78.69 -12.45 60.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 179.848 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.66 ' HB2' ' O ' ' A' ' 55' ' ' GLU . . . -48.44 -26.0 1.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.116 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.6 p -105.84 -58.33 1.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 171.64 43.08 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.452 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -90.3 -53.11 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.798 0.332 . . . . 0.0 110.87 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.736 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -95.89 31.73 2.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -69.7 -8.89 51.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.83 -25.43 66.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.77 -28.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.42 -10.21 22.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.404 ' C ' HG13 ' A' ' 69' ' ' ILE . 10.1 mmt180 -79.46 -168.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.733 0.301 . . . . 0.0 110.907 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.906 HD13 HD22 ' A' ' 34' ' ' LEU . 43.1 mt -146.74 113.61 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.69 156.55 22.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.802 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -45.59 -36.97 5.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -54.59 -56.34 19.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.785 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -53.91 -47.73 70.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.658 ' HZ ' HD11 ' A' ' 43' ' ' LEU . 10.0 t80 -51.55 -52.29 48.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.878 HG23 HG13 ' A' ' 6' ' ' VAL . 48.0 mm -56.48 -53.1 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.181 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -49.64 -38.26 31.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.873 HG23 HG21 ' A' ' 53' ' ' ILE . 33.6 mt -72.97 -38.05 55.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.626 ' HD2' HD13 ' A' ' 43' ' ' LEU . 53.6 t80 -69.2 -24.44 64.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.815 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.36 -34.72 15.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.27 54.26 37.02 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.7 mt -140.43 129.74 23.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.861 0.362 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.799 179.878 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 mmt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.775 0.321 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.76 -176.86 3.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.9 mtp85 -74.69 -73.74 0.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.98 177.87 15.78 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.24 -53.87 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.925 0.393 . . . . 0.0 110.888 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.72 HG11 ' CD1' ' A' ' 14' ' ' LEU . 4.3 m -53.52 144.68 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.18 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.0 176.25 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.95 -47.02 86.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -54.03 -59.44 4.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.797 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.577 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -61.66 -61.16 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.465 ' HB2' HG23 ' A' ' 6' ' ' VAL . 0.6 OUTLIER -37.87 -42.38 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.808 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.3 tpt -68.25 -47.69 67.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.42 -59.56 3.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.72 ' CD1' HG11 ' A' ' 6' ' ' VAL . 6.0 mt -47.57 -46.48 28.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.19 -46.2 89.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -50.57 -57.89 7.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.93 -54.03 50.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.644 ' HA ' HD22 ' A' ' 37' ' ' LEU . 30.2 t80 -41.01 -57.38 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.44 -45.97 56.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -55.92 -28.92 59.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.666 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -107.79 5.73 9.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.834 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.789 ' HA ' HG22 ' A' ' 29' ' ' ILE . 25.0 t0 -105.64 50.11 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.14 7.31 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -61.16 -16.71 47.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.09 11.68 59.07 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.555 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -113.38 -17.61 12.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.379 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.48 -19.01 29.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.471 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -118.55 146.15 44.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 110.919 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.789 HG22 ' HA ' ' A' ' 22' ' ' ASP . 18.2 pt -94.53 176.98 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.173 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.412 ' HB3' ' HG3' ' A' ' 33' ' ' GLU . 34.3 t -99.63 165.28 11.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.662 ' CZ ' HG22 ' A' ' 54' ' ' THR . 1.0 OUTLIER -46.64 -58.32 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -53.95 -45.7 71.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.42 ' HB2' ' HB ' ' A' ' 29' ' ' ILE . 54.4 mt-10 -59.92 -39.42 85.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.834 HD22 HD13 ' A' ' 69' ' ' ILE . 8.4 tp -57.91 -63.13 1.36 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.86 -47.78 31.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.4 -35.93 80.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.682 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.4 tp -68.31 -35.62 78.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.756 ' CD1' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -62.94 -48.73 77.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -75.51 -31.98 60.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.0 -26.25 63.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.56 12.17 17.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 89.5 m 50.0 54.06 11.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.756 HD23 ' CD1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -86.98 162.29 44.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.652 0.739 . . . . 0.0 110.904 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -49.3 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.681 2.254 . . . . 0.0 112.325 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.482 ' N ' HD23 ' A' ' 45' ' ' LEU . 1.4 mt -53.35 140.97 43.99 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.56 0.695 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.485 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.6 Cg_endo -69.78 -168.36 0.27 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.88 -40.59 10.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -68.41 -39.12 81.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.485 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -53.24 -47.83 68.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.932 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.9 t -67.06 -52.69 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.33 -45.87 69.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -66.92 -49.01 66.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.7 HG21 HG23 ' A' ' 77' ' ' ILE . 26.5 mt -50.45 -43.74 23.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.662 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -71.88 -58.51 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.667 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -51.2 -34.63 32.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -87.18 -22.12 25.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.754 HD11 HG12 ' A' ' 77' ' ' ILE . 3.5 mt -63.85 -60.01 3.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.576 ' HA ' ' H ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -83.97 -7.48 59.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 179.824 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 55' ' ' GLU . . . -46.14 -26.65 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.102 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.5 p -106.46 -57.5 2.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.04 45.76 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.481 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.576 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -92.96 -55.48 3.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.892 0.377 . . . . 0.0 110.867 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.723 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -95.72 -4.27 44.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -50.44 -23.81 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -49.83 -33.32 16.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -152.89 -39.87 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.11 -13.13 21.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.5 -167.84 1.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 0.0 110.879 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.834 HD13 HD22 ' A' ' 34' ' ' LEU . 96.5 mt -147.0 106.14 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.205 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.15 153.3 30.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.813 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.428 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 4.9 t80 -45.92 -36.3 5.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -54.4 -53.72 50.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.64 -46.53 84.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.498 ' HE1' HD13 ' A' ' 14' ' ' LEU . 14.3 t80 -51.55 -52.95 42.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.665 HD12 ' CG2' ' A' ' 6' ' ' VAL . 47.1 mm -56.83 -57.69 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -53.76 -31.0 46.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.754 HG12 HD11 ' A' ' 57' ' ' LEU . 27.7 mt -76.01 -45.56 36.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -61.79 -37.41 84.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.55 -34.88 30.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 58.05 42.46 95.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.52 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 mt -140.12 134.55 31.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.877 0.37 . . . . 0.0 110.925 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.807 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ttp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.808 0.337 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.06 144.42 21.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.071 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -108.82 -62.01 1.53 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.529 ' HA3' HG22 ' A' ' 75' ' ' ILE . . . -52.86 -26.58 26.5 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.451 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 51.57 52.57 14.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.868 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.774 HG13 HG23 ' A' ' 75' ' ' ILE . 4.1 m -50.85 152.09 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.191 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.77 164.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.85 -48.76 66.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.805 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -60.35 3.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.697 ' HG2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -61.4 -59.2 5.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -36.77 -44.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.94 -51.91 34.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -64.67 -60.89 2.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.697 HD11 ' HG2' ' A' ' 10' ' ' GLU . 13.3 mt -45.9 -49.24 15.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -44.58 91.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.61 -52.8 58.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.16 -55.37 22.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.637 ' HA ' HD22 ' A' ' 37' ' ' LEU . 29.3 t80 -41.44 -55.58 2.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.26 -46.28 62.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -55.68 -28.45 55.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.941 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.658 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -108.22 6.06 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.803 ' HA ' HG22 ' A' ' 29' ' ' ILE . 22.8 t70 -103.24 46.01 0.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.6 t -82.62 5.93 19.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.14 -15.93 49.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.821 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.23 12.13 57.33 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.511 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -113.12 -16.43 12.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.873 0.368 . . . . 0.0 110.899 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.15 -15.36 33.3 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.448 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.509 ' HD1' ' HG ' ' A' ' 70' ' ' SER . 0.0 OUTLIER -116.89 175.87 5.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.856 0.36 . . . . 0.0 110.868 -179.769 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.803 HG22 ' HA ' ' A' ' 22' ' ' ASP . 12.1 pt -129.84 136.67 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.112 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.4 t -57.78 164.6 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.635 ' CZ ' HG22 ' A' ' 54' ' ' THR . 2.1 m-85 -48.78 -58.98 3.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -50.31 -48.03 55.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.18 -43.41 78.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.422 HD22 HD13 ' A' ' 69' ' ' ILE . 9.2 tp -56.14 -60.15 3.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -48.58 -47.46 39.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -62.12 -33.92 75.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.712 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.3 tp -69.89 -34.46 73.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.843 ' CD2' HD12 ' A' ' 43' ' ' LEU . 0.8 OUTLIER -67.17 -40.08 86.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -81.87 -39.29 24.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.99 -31.04 72.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.45 9.36 21.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.063 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.0 t 52.11 53.15 12.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.983 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.843 HD12 ' CD2' ' A' ' 38' ' ' PHE . 2.8 mt -82.92 156.51 67.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.576 0.703 . . . . 0.0 110.916 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 43' ' ' LEU . 53.6 Cg_endo -69.78 -49.14 0.59 Allowed 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.727 2.284 . . . . 0.0 112.311 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.477 ' N ' HD23 ' A' ' 45' ' ' LEU . 2.9 mt -48.88 141.09 10.61 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.647 0.737 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.489 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 54.4 Cg_endo -69.67 -169.45 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.702 2.268 . . . . 0.0 112.358 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.18 -41.19 10.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -67.62 -38.42 83.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 0.0 110.911 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.489 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -53.9 -49.22 69.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 23.7 t -65.73 -59.46 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.98 -36.79 40.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -71.65 -54.85 9.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.849 HG21 HG23 ' A' ' 77' ' ' ILE . 24.9 mt -48.97 -39.29 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.185 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.635 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -72.03 -58.4 3.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.7 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -52.61 -33.03 44.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -87.62 -22.79 24.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.597 ' CD1' HD11 ' A' ' 77' ' ' ILE . 3.8 mt -64.77 -60.06 3.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.588 ' HB3' ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -83.11 -7.83 59.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.804 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 55' ' ' GLU . . . -46.31 -27.31 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.3 p -105.32 -58.66 1.86 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.96 43.48 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.451 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.555 ' C ' HD12 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -90.11 -54.01 4.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.827 0.346 . . . . 0.0 110.86 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.727 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -99.54 13.83 32.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.83 -21.78 4.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -50.78 -32.54 20.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.45 -32.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.47 4.9 17.15 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.466 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 -96.41 -175.51 3.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.796 0.332 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.587 HG23 ' HB3' ' A' ' 73' ' ' GLU . 2.9 mp -138.23 113.53 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.509 ' HG ' ' HD1' ' A' ' 28' ' ' TYR . 1.5 m -78.02 153.42 32.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -43.85 -36.33 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -57.33 -51.06 70.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.587 ' HB3' HG23 ' A' ' 69' ' ' ILE . 0.2 OUTLIER -59.13 -49.09 79.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.677 ' HZ ' HD11 ' A' ' 43' ' ' LEU . 10.7 t80 -52.15 -52.25 52.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.774 HG23 HG13 ' A' ' 6' ' ' VAL . 41.6 mm -56.42 -56.95 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.105 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -49.72 -33.84 17.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.849 HG23 HG21 ' A' ' 53' ' ' ILE . 25.9 mt -75.45 -40.74 42.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.578 ' HD1' HD13 ' A' ' 43' ' ' LEU . 53.0 t80 -64.76 -29.89 70.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -88.58 -34.69 17.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 68.48 57.41 8.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.461 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.56 107.85 20.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.2 mttt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.825 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 ttp . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.821 0.343 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.98 105.9 3.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -175.89 160.83 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.06 -172.02 38.97 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.532 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -146.8 -46.06 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.381 . . . . 0.0 110.828 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.71 HG11 ' CD1' ' A' ' 14' ' ' LEU . 5.0 m -56.56 147.57 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.13 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.93 178.01 0.88 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.883 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -49.07 79.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -52.1 -60.26 3.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.595 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -61.13 -61.61 2.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.855 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.443 ' HB2' HG23 ' A' ' 6' ' ' VAL . 1.4 tpt -37.65 -42.1 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 12.9 ttt -68.23 -47.95 66.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -68.17 -59.13 3.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.843 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.71 ' CD1' HG11 ' A' ' 6' ' ' VAL . 5.1 mt -47.82 -47.18 31.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -47.35 86.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -49.7 -59.5 3.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.22 -54.69 44.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.64 ' HA ' HD22 ' A' ' 37' ' ' LEU . 28.6 t80 -41.06 -56.54 2.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.86 -46.31 60.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -55.42 -28.61 55.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.666 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -108.12 5.78 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.9 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.805 ' HA ' HG22 ' A' ' 29' ' ' ILE . 25.4 t0 -105.29 50.82 0.77 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 t -81.82 6.82 14.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -61.02 -17.14 50.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.68 11.61 57.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -113.41 -16.74 12.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.889 0.376 . . . . 0.0 110.952 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.06 -19.24 30.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.47 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -118.4 145.68 45.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.848 0.356 . . . . 0.0 110.932 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.805 HG22 ' HA ' ' A' ' 22' ' ' ASP . 17.7 pt -94.59 176.44 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.413 ' HB2' ' HG3' ' A' ' 33' ' ' GLU . 65.4 m -98.82 164.58 12.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.652 ' CZ ' HG22 ' A' ' 54' ' ' THR . 0.8 OUTLIER -46.55 -58.03 4.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.828 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -53.78 -45.97 70.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.413 ' HG3' ' HB2' ' A' ' 30' ' ' SER . 52.6 mt-10 -59.61 -41.03 89.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.827 HD22 HD13 ' A' ' 69' ' ' ILE . 8.8 tp -56.5 -62.72 1.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.954 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.429 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 7.5 t30 -47.49 -51.09 21.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.89 -37.13 78.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.708 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.7 tp -64.5 -35.6 81.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.979 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.791 ' CD1' HD23 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -65.71 -43.7 88.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 35' ' ' ASN . 10.3 mmmm -69.79 -54.52 13.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.65 -21.99 55.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.088 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.426 ' HB3' HD22 ' A' ' 43' ' ' LEU . . . -82.87 1.64 38.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.063 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.6 t 55.87 28.8 13.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.791 HD23 ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -64.98 161.82 43.91 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.586 0.708 . . . . 0.0 110.902 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -50.6 0.45 Allowed 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.725 2.283 . . . . 0.0 112.339 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.475 ' N ' HD23 ' A' ' 45' ' ' LEU . 1.4 mt -51.44 140.55 25.2 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.573 0.702 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.487 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.5 Cg_endo -69.65 -167.89 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.716 2.278 . . . . 0.0 112.355 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.23 -39.86 10.84 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.512 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -69.54 -38.9 77.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.487 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -54.53 -47.72 72.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.802 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.428 HG21 ' CG ' ' A' ' 38' ' ' PHE . 25.2 t -67.33 -57.93 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.3 -37.37 55.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -71.75 -53.44 13.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.821 HG21 HG23 ' A' ' 77' ' ' ILE . 26.6 mt -48.41 -40.62 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.652 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -72.4 -57.67 4.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.653 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -51.84 -34.56 41.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -87.35 -21.98 25.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.685 HD11 HG12 ' A' ' 77' ' ' ILE . 3.4 mt -63.87 -60.01 3.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.569 ' HA ' ' H ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -84.03 -7.16 59.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.653 ' HB2' ' O ' ' A' ' 55' ' ' GLU . . . -46.51 -26.22 0.83 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.074 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 p -106.62 -57.61 2.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.16 45.2 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.569 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -92.37 -55.52 3.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.864 0.364 . . . . 0.0 110.845 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.724 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -95.69 -3.74 45.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.67 -23.42 2.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -50.14 -33.53 19.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.26 -39.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.21 -18.09 18.74 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.99 -168.26 2.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.768 0.318 . . . . 0.0 110.924 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.827 HD13 HD22 ' A' ' 34' ' ' LEU . 96.9 mt -147.44 105.99 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.161 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.43 153.94 29.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.79 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.427 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 4.6 t80 -46.39 -35.47 5.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -55.13 -53.14 59.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.84 -43.91 90.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.48 ' HE1' HD13 ' A' ' 14' ' ' LEU . 11.0 t80 -54.32 -51.44 64.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.662 HD12 ' CG2' ' A' ' 6' ' ' VAL . 46.6 mm -58.21 -55.96 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -53.05 -33.62 52.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.821 HG23 HG21 ' A' ' 53' ' ' ILE . 27.7 mt -73.02 -44.61 56.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.138 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -66.14 -46.41 77.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -70.52 -34.7 72.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.33 -19.7 48.42 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.555 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 mt -130.48 128.37 41.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.933 0.397 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.798 0.333 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.08 -75.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.115 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 53.69 70.36 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.87 28.08 4.47 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.414 ' HB2' HG21 ' A' ' 75' ' ' ILE . 66.4 m -89.75 -70.97 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.96 0.41 . . . . 0.0 110.895 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.672 ' HB ' HG23 ' A' ' 75' ' ' ILE . 0.3 OUTLIER -91.37 148.94 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.437 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.6 OUTLIER -51.15 153.69 1.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.873 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.71 -54.44 37.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.968 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -48.23 -60.24 2.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.518 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.95 -55.14 38.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.884 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.72 -43.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.3 mmt -68.65 -47.94 65.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.83 -60.78 2.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.869 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.57 HD13 ' HE1' ' A' ' 74' ' ' PHE . 8.2 mt -46.7 -49.26 19.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -44.03 98.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.946 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -50.5 -60.17 3.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.04 -54.26 48.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.059 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.642 ' HA ' HD22 ' A' ' 37' ' ' LEU . 28.4 t80 -41.2 -56.19 2.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.83 -46.61 60.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -55.37 -27.77 49.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.655 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -108.4 5.46 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 179.848 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.764 ' HA ' HG22 ' A' ' 29' ' ' ILE . 26.0 t0 -107.03 49.4 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.853 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.1 p -81.5 6.32 15.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -61.99 -16.03 48.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.94 14.02 60.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.451 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -113.38 -18.38 12.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.939 0.4 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.8 -19.48 30.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.426 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -118.71 144.75 46.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.928 0.394 . . . . 0.0 110.882 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.764 HG22 ' HA ' ' A' ' 22' ' ' ASP . 16.7 pt -94.51 176.21 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.149 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.425 ' HB3' ' HG2' ' A' ' 33' ' ' GLU . 12.2 t -97.29 161.83 13.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.68 ' CZ ' HD23 ' A' ' 63' ' ' LEU . 5.5 m-85 -45.39 -56.12 5.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -54.57 -45.63 73.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.958 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.425 ' HG2' ' HB3' ' A' ' 30' ' ' SER . 1.1 mm-40 -61.46 -39.16 89.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.595 HD22 HD13 ' A' ' 69' ' ' ILE . 6.7 tp -56.9 -63.34 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -49.69 -48.21 49.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -61.08 -37.82 84.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.676 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -64.31 -40.97 96.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.906 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.697 ' CE1' HD12 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -55.82 -54.69 41.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -71.2 -35.15 71.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.63 -30.11 71.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.92 20.56 7.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.06 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 t 49.5 58.62 5.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.697 HD12 ' CE1' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -79.21 148.39 70.97 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.654 0.74 . . . . 0.0 110.874 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.475 ' HD2' HD13 ' A' ' 43' ' ' LEU . 53.9 Cg_endo -69.8 -38.39 7.78 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.245 . . . . 0.0 112.362 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.491 ' N ' HD23 ' A' ' 45' ' ' LEU . 2.5 mt -60.99 144.76 90.26 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.574 0.702 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.472 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.8 Cg_endo -69.67 -169.89 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.656 2.238 . . . . 0.0 112.367 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.82 -40.81 11.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -67.84 -36.55 80.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.874 0.369 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.472 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -57.76 -53.99 52.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 70.2 t -59.42 -54.31 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.2 -48.09 74.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -62.15 -49.27 76.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.733 HG21 HG23 ' A' ' 77' ' ' ILE . 24.1 mt -51.26 -37.42 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.092 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -58.29 3.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.199 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.36 -36.53 61.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.486 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 45.7 t30 -79.66 -31.52 41.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.802 HD11 HG12 ' A' ' 77' ' ' ILE . 6.5 mt -63.02 -65.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.625 ' HB3' ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -64.06 -11.62 31.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.868 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 56' ' ' ASN . . . -48.5 -24.12 1.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.8 t -120.21 35.79 4.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.187 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.76 32.55 83.29 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' A' ' 57' ' ' LEU . 80.6 m-20 -76.71 -53.79 7.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.752 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -96.02 0.28 51.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.963 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -84.39 -16.89 41.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.804 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -49.02 -49.8 39.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.945 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.27 -14.77 8.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.82 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.97 -36.61 3.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.506 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -93.16 -166.85 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.727 0.299 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.595 HD13 HD22 ' A' ' 34' ' ' LEU . 30.1 mt -141.92 113.4 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.33 155.84 28.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -48.52 -33.56 9.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -53.84 -57.15 11.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.51 -46.38 73.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.57 ' HE1' HD13 ' A' ' 14' ' ' LEU . 10.6 t80 -53.35 -47.75 69.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.672 HG23 ' HB ' ' A' ' 6' ' ' VAL . 32.0 mm -60.52 -58.88 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.514 ' HA ' HD21 ' A' ' 81' ' ' LEU . 27.9 ttmt -49.17 -34.33 14.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.802 HG12 HD11 ' A' ' 57' ' ' LEU . 24.6 mt -71.99 -46.46 59.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.427 ' CE1' HD13 ' A' ' 43' ' ' LEU . 73.5 t80 -56.64 -40.28 75.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.94 -34.66 44.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 68.51 57.11 8.54 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.514 HD21 ' HA ' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -98.36 101.41 12.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.857 0.36 . . . . 0.0 110.95 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 179.905 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.82 0.343 . . . . 0.0 110.824 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.23 -172.84 3.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 39.2 42.53 0.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.79 85.16 0.24 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.446 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.4 p -178.28 -175.24 0.45 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.005 0.431 . . . . 0.0 110.826 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.698 HG13 HG23 ' A' ' 75' ' ' ILE . 2.9 m -50.75 147.6 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.189 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.31 173.41 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.5 -48.52 80.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -52.33 -60.51 3.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.58 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -61.41 -61.18 2.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.483 ' HB2' HG23 ' A' ' 6' ' ' VAL . 1.0 OUTLIER -37.3 -42.43 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.4 mtp -68.19 -48.68 64.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -68.31 -59.48 3.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.617 ' CD1' HG11 ' A' ' 6' ' ' VAL . 7.7 mt -46.77 -47.12 20.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -47.42 84.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.788 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -50.05 -59.49 3.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.7 -55.1 39.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.711 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 11.5 t80 -41.76 -55.37 3.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.22 -46.14 54.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 mtmm -56.15 -27.07 52.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.646 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -109.11 6.26 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.116 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.492 ' HA ' HG22 ' A' ' 29' ' ' ILE . 10.3 t0 -86.37 79.9 8.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.6 t -55.86 -41.4 74.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.195 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.87 -26.06 67.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.03 3.78 45.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.476 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -114.08 22.15 14.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.848 0.356 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.74 30.71 31.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.463 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -125.81 137.75 53.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.925 0.393 . . . . 0.0 110.892 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.711 HG23 ' CZ ' ' A' ' 18' ' ' PHE . 50.3 pt -136.54 147.57 27.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.143 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.41 ' HB3' ' HG2' ' A' ' 33' ' ' GLU . 14.2 t -80.53 163.89 23.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.614 ' CZ ' HG22 ' A' ' 54' ' ' THR . 1.3 m-85 -45.25 -57.02 4.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -54.28 -47.67 72.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.41 ' HG2' ' HB3' ' A' ' 30' ' ' SER . 1.6 mm-40 -58.43 -40.34 82.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.813 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.817 HD22 HD13 ' A' ' 69' ' ' ILE . 9.2 tp -56.9 -62.79 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -47.86 -46.62 31.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -63.92 -34.73 78.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.696 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.8 tp -68.53 -35.57 77.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.795 ' CD1' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -65.01 -53.47 45.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -64.84 -47.99 75.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.36 -20.64 64.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.497 ' HB3' HD22 ' A' ' 43' ' ' LEU . . . -85.61 3.94 38.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.3 t 57.21 28.16 14.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.795 HD23 ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -65.91 160.19 64.42 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.607 0.718 . . . . 0.0 110.925 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -49.3 0.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.74 2.293 . . . . 0.0 112.341 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.468 ' N ' HD23 ' A' ' 45' ' ' LEU . 1.4 mt -50.92 140.59 20.19 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.607 0.718 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.481 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.6 Cg_endo -69.82 -168.07 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.647 2.232 . . . . 0.0 112.372 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.68 -39.73 10.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.518 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.409 ' CZ ' ' HG3' ' A' ' 46' ' ' PRO . 55.2 p90 -69.28 -39.52 78.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.792 0.33 . . . . 0.0 110.906 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.481 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -54.06 -47.83 71.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.409 HG21 ' CG ' ' A' ' 38' ' ' PHE . 35.3 t -66.67 -56.04 15.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.172 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -39.92 63.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -69.0 -52.58 27.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.873 HG21 HG23 ' A' ' 77' ' ' ILE . 29.5 mt -49.07 -40.92 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.091 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.614 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -71.95 -57.88 3.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.651 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -51.7 -34.82 40.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.833 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -87.07 -21.69 25.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.72 HD11 HG12 ' A' ' 77' ' ' ILE . 3.4 mt -63.51 -60.05 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.556 ' HA ' ' H ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -83.8 -8.05 59.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.864 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 55' ' ' GLU . . . -46.53 -26.65 0.92 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.7 p -105.59 -58.1 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.149 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.37 45.0 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.449 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.556 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -92.15 -54.97 3.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 0.0 110.887 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.732 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -96.42 17.36 16.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.958 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -59.75 -17.77 37.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -51.32 -30.75 19.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -174.55 -29.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.28 -11.17 19.72 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.09 -175.28 4.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.768 0.318 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.817 HD13 HD22 ' A' ' 34' ' ' LEU . 89.1 mt -144.96 107.55 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.43 155.57 28.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.472 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 4.5 t80 -47.43 -39.31 15.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.86 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -52.23 -52.73 50.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.78 -47.35 82.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.513 ' HZ ' HD21 ' A' ' 43' ' ' LEU . 12.0 t80 -52.07 -50.73 60.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.698 HG23 HG13 ' A' ' 6' ' ' VAL . 48.7 mm -58.05 -59.33 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -32.91 22.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.873 HG23 HG21 ' A' ' 53' ' ' ILE . 26.2 mt -71.92 -43.47 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -65.5 -51.12 62.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.44 ' CE1' ' HA ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -67.65 -34.38 76.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.23 42.05 87.66 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.559 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 mt -140.94 128.07 20.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 110.901 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mmt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.789 0.328 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -175.5 -177.9 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -97.29 -72.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.41 169.86 14.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.543 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.98 -49.22 0.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.928 0.394 . . . . 0.0 110.894 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.929 HG13 HG23 ' A' ' 75' ' ' ILE . 11.1 m -50.99 159.24 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.133 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.65 167.59 16.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.59 -48.55 66.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -52.07 -60.55 3.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.733 ' HG2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -61.09 -59.31 5.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.854 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.39 -43.91 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.2 ttt -68.72 -49.64 57.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.16 -61.02 2.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.95 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.733 HD11 ' HG2' ' A' ' 10' ' ' GLU . 12.3 mt -45.98 -47.62 16.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.966 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -45.17 89.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.789 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -50.43 -59.8 3.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.45 ' HB3' ' CD1' ' A' ' 37' ' ' LEU . . . -61.21 -54.78 39.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.497 ' HA ' HD22 ' A' ' 37' ' ' LEU . 20.7 t80 -42.1 -36.09 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.69 -53.13 59.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -21.71 24.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.621 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -108.57 3.93 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.905 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.642 ' HA ' HG22 ' A' ' 29' ' ' ILE . 32.1 t70 -113.7 46.22 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.8 p -83.06 5.81 21.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -62.2 -15.66 47.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.88 10.17 60.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.439 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -107.69 -19.4 13.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.36 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.51 -17.4 36.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.48 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -120.37 151.97 38.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.852 0.358 . . . . 0.0 110.966 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.642 HG22 ' HA ' ' A' ' 22' ' ' ASP . 12.5 pt -102.79 177.68 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.9 t -99.76 162.96 12.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.615 ' CZ ' HG22 ' A' ' 54' ' ' THR . 1.4 m-85 -44.45 -57.93 3.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -53.05 -46.78 68.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.51 -41.32 85.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.762 HD22 HD13 ' A' ' 69' ' ' ILE . 6.9 tp -55.75 -62.38 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -48.16 -45.96 34.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -62.63 -37.44 86.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.943 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.681 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.9 tp -64.66 -42.0 95.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.661 ' CE1' HD12 ' A' ' 43' ' ' LEU . 0.8 OUTLIER -56.81 -54.0 51.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.01 -35.12 74.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.77 -30.37 71.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.025 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.401 ' HB3' HD23 ' A' ' 43' ' ' LEU . . . -95.98 18.34 13.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.067 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.5 t 50.6 58.49 5.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.661 HD12 ' CE1' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -80.02 151.28 73.0 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.596 0.712 . . . . 0.0 110.878 -179.867 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.544 ' HD2' HD13 ' A' ' 43' ' ' LEU . 53.6 Cg_endo -69.75 -46.9 1.06 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.738 2.292 . . . . 0.0 112.356 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.489 ' N ' HD23 ' A' ' 45' ' ' LEU . 2.6 mt -57.03 145.52 64.59 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.624 0.725 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.47 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.8 Cg_endo -69.76 -167.89 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.71 -41.26 9.93 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.411 ' CZ ' ' HG3' ' A' ' 46' ' ' PRO . 55.1 p90 -68.21 -37.82 81.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.368 . . . . 0.0 110.945 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.47 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -57.13 -51.34 69.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.23 -55.67 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -39.17 70.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -68.23 -50.98 50.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.869 HG21 HG23 ' A' ' 77' ' ' ILE . 22.2 mt -51.74 -44.7 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.615 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -66.64 -60.53 2.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.16 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.708 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -53.74 -27.36 28.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.916 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -87.05 -25.02 24.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.496 HD23 HD11 ' A' ' 63' ' ' LEU . 1.1 tp -64.98 -61.79 1.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.624 ' HB3' HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -75.43 -13.88 60.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.807 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 55' ' ' GLU . . . -48.97 -25.39 1.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.5 p -108.55 -58.27 2.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 172.61 42.88 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.508 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.439 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -90.21 -53.33 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 110.864 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.742 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -95.73 24.59 5.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -56.85 -20.19 21.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -51.57 -32.92 30.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.03 -25.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.21 -6.93 21.26 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.445 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -75.45 -170.0 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.787 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.762 HD13 HD22 ' A' ' 34' ' ' LEU . 76.8 mt -148.87 104.81 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.105 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.4 151.43 27.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -43.87 -38.57 3.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.5 -54.29 39.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -58.14 -44.86 88.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.568 ' HE1' HD13 ' A' ' 14' ' ' LEU . 13.1 t80 -53.13 -50.82 63.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.929 HG23 HG13 ' A' ' 6' ' ' VAL . 45.4 mm -58.91 -56.48 16.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.49 -30.86 43.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.913 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.869 HG23 HG21 ' A' ' 53' ' ' ILE . 25.1 mt -74.94 -40.88 46.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.087 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.4 ' CE2' HD13 ' A' ' 43' ' ' LEU . 58.7 t80 -63.52 -40.24 96.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.62 -34.82 40.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 55.79 57.39 19.12 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.438 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.584 HD12 ' N ' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -125.11 130.89 53.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.35 . . . . 0.0 110.922 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.584 ' N ' HD12 ' A' ' 81' ' ' LEU . 20.7 mttt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tpt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.815 0.34 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' A' ' 71' ' ' PHE . . . -171.16 178.43 3.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.109 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -142.69 169.36 17.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.559 ' HA3' HG21 ' A' ' 75' ' ' ILE . . . -164.19 179.68 38.91 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.2 m -104.1 70.44 0.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.672 ' HB ' HG23 ' A' ' 75' ' ' ILE . 0.3 OUTLIER -128.78 150.05 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.167 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.415 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.6 OUTLIER -49.93 149.04 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.813 -179.858 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.17 -56.72 11.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -47.81 -58.92 3.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.572 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -55.79 -56.98 14.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.839 -179.872 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.427 ' SD ' HG12 ' A' ' 6' ' ' VAL . 11.5 tpt -37.87 -44.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -68.19 -45.54 73.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -68.9 -59.92 2.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 6.7 mt -47.11 -49.07 22.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -43.81 98.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.35 -53.19 30.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.444 ' HB3' ' CD1' ' A' ' 37' ' ' LEU . . . -67.26 -54.25 22.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.773 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 24.6 t80 -41.64 -36.57 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.46 -53.22 58.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -21.41 22.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.595 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -108.73 2.74 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.221 179.739 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.585 ' HA ' HG22 ' A' ' 29' ' ' ILE . 25.6 t0 -110.61 47.85 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 56.2 p -81.33 5.65 16.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.42 -15.78 51.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.86 16.35 61.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.467 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -113.45 -18.58 11.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.26 -22.87 24.15 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.505 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 70' ' ' SER . 1.7 p90 -114.8 149.85 36.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 0.0 110.863 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.773 HG23 ' CZ ' ' A' ' 18' ' ' PHE . 38.6 pt -98.76 177.85 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.162 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.432 ' HB3' ' HG2' ' A' ' 33' ' ' GLU . 13.2 t -100.39 161.97 13.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.677 ' CZ ' HD23 ' A' ' 63' ' ' LEU . 12.8 m-85 -47.0 -55.8 7.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -53.81 -47.25 71.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.432 ' HG2' ' HB3' ' A' ' 30' ' ' SER . 1.4 mm-40 -61.05 -39.61 90.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.583 HD22 HD13 ' A' ' 69' ' ' ILE . 7.7 tp -56.02 -61.68 2.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -50.85 -47.15 60.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -61.78 -35.92 79.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.812 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.614 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.5 tp -67.38 -36.14 80.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.679 ' CD2' HD23 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -63.07 -47.23 83.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.891 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -77.22 -31.65 55.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.29 -27.59 62.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.144 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.62 11.15 15.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.077 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.7 m 49.58 52.93 13.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.679 HD23 ' CD2' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -84.73 160.66 55.48 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.619 0.724 . . . . 0.0 110.923 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -48.47 0.72 Allowed 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.733 2.289 . . . . 0.0 112.4 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.504 HD13 ' HD2' ' A' ' 49' ' ' ARG . 1.3 mt -50.55 139.51 20.4 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.557 0.694 . . . . 0.0 110.946 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.455 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 54.7 Cg_endo -69.66 -170.28 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.736 2.29 . . . . 0.0 112.375 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.7 -40.46 12.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.422 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -67.78 -35.82 79.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.946 0.403 . . . . 0.0 110.967 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.504 ' HD2' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -56.2 -48.56 76.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.926 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.2 t -64.37 -57.7 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.127 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.21 -39.44 66.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -68.12 -51.81 41.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.99 HG21 HG23 ' A' ' 77' ' ' ILE . 24.5 mt -50.25 -35.75 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.437 HG21 HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -74.16 -54.91 6.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -33.38 25.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.842 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.501 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 52.4 t30 -86.83 -30.84 21.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.631 HD11 HG12 ' A' ' 77' ' ' ILE . 6.3 mt -62.27 -64.98 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.624 ' HB3' ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -64.43 -12.81 47.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.789 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 56' ' ' ASN . . . -48.04 -24.99 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.1 p -123.6 52.11 1.45 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 50.02 49.53 35.93 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.453 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.466 ' C ' HD12 ' A' ' 63' ' ' LEU . 1.1 m-20 -96.47 -53.32 3.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.842 0.353 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.754 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -97.82 -17.47 19.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.988 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -69.15 -19.03 64.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -50.16 -37.51 35.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.89 -4.26 3.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.79 6.24 66.64 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.528 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -128.08 -169.08 2.0 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.738 0.304 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.583 HD13 HD22 ' A' ' 34' ' ' LEU . 25.0 mt -146.09 109.02 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 28' ' ' TYR . 0.7 OUTLIER -76.37 155.92 33.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.525 ' HB3' ' HB3' ' A' ' 2' ' ' ALA . 5.4 t80 -47.56 -34.45 7.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -54.53 -54.76 36.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.17 -47.31 78.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.815 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.516 ' HE2' HD13 ' A' ' 14' ' ' LEU . 12.9 t80 -51.57 -54.58 26.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.672 HG23 ' HB ' ' A' ' 6' ' ' VAL . 44.5 mm -54.25 -60.07 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.182 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -51.31 -29.84 16.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.99 HG23 HG21 ' A' ' 53' ' ' ILE . 24.7 mt -76.92 -42.71 32.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -61.7 -37.72 85.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.517 ' HD2' HG23 ' A' ' 6' ' ' VAL . 0.2 OUTLIER -83.14 -34.62 26.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.883 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 61.5 54.14 38.36 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.7 mt -140.8 134.4 30.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 mmt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.803 0.335 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.57 -174.28 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.026 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -139.12 -171.88 3.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.06 -161.04 17.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.43 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.452 ' N ' HG21 ' A' ' 75' ' ' ILE . 88.9 p -127.98 82.85 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.922 0.391 . . . . 0.0 110.849 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.663 ' HB ' HG23 ' A' ' 75' ' ' ILE . 0.4 OUTLIER -120.73 154.87 24.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.112 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.429 ' O ' HG13 ' A' ' 6' ' ' VAL . 1.1 p -49.13 153.39 0.95 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -53.8 -56.77 14.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.63 -59.9 2.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.929 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.532 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.31 -55.29 35.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.91 -44.25 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 26.8 ttp -68.31 -49.58 59.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.83 -60.0 3.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.566 HD13 ' HE1' ' A' ' 74' ' ' PHE . 7.9 mt -46.57 -51.21 16.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -45.12 85.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -50.82 -59.52 4.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.31 -57.0 14.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.625 ' HA ' HD22 ' A' ' 37' ' ' LEU . 27.3 t80 -41.23 -55.36 2.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.13 -46.64 62.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.054 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -54.91 -28.89 54.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.684 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -106.58 4.91 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.094 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.691 ' HA ' HG22 ' A' ' 29' ' ' ILE . 30.2 t70 -109.08 46.03 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.7 t -81.38 3.82 23.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.228 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.66 -16.02 54.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.15 19.11 69.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -113.47 -19.7 11.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.73 -28.26 12.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -113.04 144.45 42.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.88 0.371 . . . . 0.0 110.909 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.691 HG22 ' HA ' ' A' ' 22' ' ' ASP . 18.5 pt -97.65 154.18 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.145 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.2 m -73.09 162.68 29.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.68 ' CZ ' HD23 ' A' ' 63' ' ' LEU . 8.7 m-85 -48.28 -56.59 7.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -51.75 -46.29 63.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.43 -41.48 97.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.998 HD22 HD13 ' A' ' 69' ' ' ILE . 9.7 tp -54.78 -61.71 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -50.76 -49.09 58.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -59.29 -35.45 73.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.684 ' HB2' HG21 ' A' ' 21' ' ' VAL . 0.7 OUTLIER -69.31 -36.03 76.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.965 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.801 ' CD1' HD12 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -62.55 -40.15 95.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.941 179.849 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -86.94 -24.14 24.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.47 -24.73 45.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.05 15.63 11.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 51.5 m 48.91 47.23 21.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.801 HD12 ' CD1' ' A' ' 38' ' ' PHE . 9.3 mt -78.24 156.45 78.97 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.576 0.703 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 43' ' ' LEU . 53.1 Cg_endo -69.85 -45.91 1.37 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.701 2.267 . . . . 0.0 112.321 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.467 ' N ' HD23 ' A' ' 45' ' ' LEU . 2.8 mt -49.24 139.44 13.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.591 0.71 . . . . 0.0 110.935 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.483 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.2 Cg_endo -69.8 -170.83 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.674 2.249 . . . . 0.0 112.281 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.8 -40.96 11.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.51 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -67.15 -36.87 82.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.88 0.372 . . . . 0.0 110.91 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.483 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -55.3 -51.34 67.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.942 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.0 t -62.11 -59.18 4.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.73 -43.36 62.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -66.37 -51.77 53.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.947 HG21 HG23 ' A' ' 77' ' ' ILE . 24.2 mt -49.67 -36.26 10.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.178 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.437 HG21 HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -72.79 -58.21 3.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.153 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -31.84 24.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.486 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 51.5 t30 -86.96 -31.45 20.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.498 ' CD1' HD11 ' A' ' 77' ' ' ILE . 6.6 mt -63.06 -64.94 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.625 ' HB3' ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -63.95 -13.05 42.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.887 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 56' ' ' ASN . . . -47.98 -25.07 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.071 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.9 p -123.82 51.69 1.51 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 50.33 49.64 37.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.449 ' C ' HD12 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -96.57 -53.57 3.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 0.0 110.828 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.75 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -97.18 -10.23 26.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.2 -21.24 54.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.781 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -49.62 -38.2 30.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.97 -14.4 5.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.797 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.79 -37.26 3.43 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.415 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.02 -168.42 1.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.748 0.308 . . . . 0.0 110.859 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.998 HD13 HD22 ' A' ' 34' ' ' LEU . 25.1 mt -137.57 114.56 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.61 157.86 31.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.81 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -49.89 -37.15 30.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -52.25 -55.8 18.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.48 -50.28 63.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.69 ' HZ ' HD11 ' A' ' 43' ' ' LEU . 6.8 t80 -51.82 -48.37 63.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.663 HG23 ' HB ' ' A' ' 6' ' ' VAL . 34.1 mm -56.32 -56.78 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -49.8 -37.41 30.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.941 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.947 HG23 HG21 ' A' ' 53' ' ' ILE . 43.4 mt -71.9 -35.47 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.606 ' HD2' HD13 ' A' ' 43' ' ' LEU . 84.7 t80 -66.79 -38.34 86.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.496 ' O ' HD22 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -80.2 -34.33 37.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 86.67 -57.28 4.69 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.542 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.582 ' H ' HD22 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -51.69 103.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.908 0.385 . . . . 0.0 110.915 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.82 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.9 mtm . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.75 0.31 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.88 -169.54 2.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.142 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.9 tpp85 60.29 97.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.95 117.73 5.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.475 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.95 175.1 9.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.974 0.416 . . . . 0.0 110.875 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.491 ' HB ' HG23 ' A' ' 75' ' ' ILE . 0.5 OUTLIER 66.55 143.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.153 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.422 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER -61.25 151.84 30.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.8 -50.81 32.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -48.63 -60.11 2.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.518 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -58.94 -55.4 35.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.882 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.0 tpt -38.22 -44.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 12.2 ttt -68.81 -47.29 66.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.12 -61.03 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.553 HD13 ' HE1' ' A' ' 74' ' ' PHE . 8.2 mt -46.84 -48.06 21.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -43.02 99.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.85 -53.65 49.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.38 -55.18 19.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.631 ' HA ' HD22 ' A' ' 37' ' ' LEU . 29.5 t80 -41.34 -55.5 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.811 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.6 -46.46 57.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.08 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -55.3 -28.65 55.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.664 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -107.31 5.31 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.635 ' HA ' HG22 ' A' ' 29' ' ' ILE . 33.6 t70 -112.2 45.17 1.31 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.8 p -83.39 6.28 20.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.43 -17.11 52.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.12 11.17 79.06 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -107.98 -18.49 13.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.11 -27.0 20.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.522 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.41 ' HA ' ' HA ' ' A' ' 70' ' ' SER . 2.4 p90 -114.17 144.74 42.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.892 0.377 . . . . 0.0 110.935 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.635 HG22 ' HA ' ' A' ' 22' ' ' ASP . 12.6 pt -94.25 176.63 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.9 t -98.5 163.9 12.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.58 ' CE2' HD23 ' A' ' 63' ' ' LEU . 1.2 m-85 -45.74 -57.11 4.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -54.67 -45.94 73.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.424 ' HB2' ' HB ' ' A' ' 29' ' ' ILE . 34.5 mt-10 -59.84 -40.22 87.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.818 HD22 HD13 ' A' ' 69' ' ' ILE . 8.0 tp -56.19 -63.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -48.12 -47.54 34.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.77 -36.56 81.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.701 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -65.25 -41.65 94.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.689 ' CE2' HD12 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -56.2 -54.46 44.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.21 -34.56 73.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.95 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.03 -29.45 69.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.46 17.78 13.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.1 t 52.14 58.25 5.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.914 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.689 HD12 ' CE2' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -81.62 152.62 69.95 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.705 0.764 . . . . 0.0 110.891 -179.877 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.515 ' HD2' HD13 ' A' ' 43' ' ' LEU . 53.6 Cg_endo -69.72 -47.33 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.726 2.284 . . . . 0.0 112.363 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.488 ' N ' HD23 ' A' ' 45' ' ' LEU . 2.9 mt -57.39 146.37 63.58 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.62 0.724 . . . . 0.0 110.919 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.46 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.9 Cg_endo -69.79 -169.41 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.68 2.253 . . . . 0.0 112.385 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.68 -39.12 14.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.463 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -69.9 -36.63 75.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.84 0.352 . . . . 0.0 110.933 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.46 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -56.72 -52.53 64.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 42.9 t -63.47 -56.39 17.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.02 -39.8 63.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -71.12 -51.72 23.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.805 HG21 HG23 ' A' ' 77' ' ' ILE . 23.6 mt -48.28 -41.87 10.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.606 HG21 HD23 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -72.56 -57.63 4.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.617 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -51.71 -34.99 41.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -87.39 -21.57 25.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.719 HD11 HG12 ' A' ' 77' ' ' ILE . 2.9 mt -62.19 -60.0 4.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.574 ' HB3' ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -83.93 -8.68 59.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.822 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.617 ' HB2' ' O ' ' A' ' 55' ' ' GLU . . . -46.48 -26.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.0 p -105.37 -57.87 1.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 172.69 44.83 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.557 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -92.32 -55.38 3.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 0.0 110.901 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.729 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -95.89 21.19 8.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -73.61 -5.63 41.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.22 -29.47 65.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.98 -37.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.47 -26.45 10.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.35 -168.12 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 110.845 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.818 HD13 HD22 ' A' ' 34' ' ' LEU . 82.8 mt -145.67 108.49 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -80.99 156.85 25.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -47.7 -33.77 7.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -56.88 -54.91 41.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.11 -44.65 87.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.553 ' HE1' HD13 ' A' ' 14' ' ' LEU . 16.3 t80 -53.07 -52.31 58.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.491 HG23 ' HB ' ' A' ' 6' ' ' VAL . 37.6 mm -57.78 -55.74 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.087 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -53.14 -31.73 43.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.805 HG23 HG21 ' A' ' 53' ' ' ILE . 23.8 mt -75.41 -39.04 40.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.206 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.412 ' CE1' HD13 ' A' ' 43' ' ' LEU . 56.4 t80 -66.3 -34.58 78.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.04 -34.79 24.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 76.9 -60.35 3.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.513 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 mp -130.29 126.82 38.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.849 0.357 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.4 pttt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.817 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 ptm . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.829 0.347 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.19 169.81 2.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.087 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 40.2 mtt-85 -75.17 -172.22 1.63 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.825 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.96 176.29 44.4 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.94 -48.03 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 110.826 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.73 HG11 ' CD1' ' A' ' 14' ' ' LEU . 4.7 m -52.83 144.56 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.119 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.29 177.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.787 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.0 -49.53 77.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.805 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -51.8 -60.2 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.583 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -60.69 -61.27 2.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.44 ' HB2' HG23 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -37.45 -42.16 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.9 ttp -68.13 -48.85 64.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.34 -58.99 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.73 ' CD1' HG11 ' A' ' 6' ' ' VAL . 6.5 mt -47.64 -47.77 29.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -47.02 87.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.831 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.96 -56.4 10.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.98 -55.01 37.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.643 ' HA ' HD22 ' A' ' 37' ' ' LEU . 30.7 t80 -41.33 -56.62 2.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.69 -46.36 58.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.108 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -55.19 -28.7 54.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.676 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -107.94 5.28 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.885 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.785 ' HA ' HG22 ' A' ' 29' ' ' ILE . 25.7 t0 -106.27 47.02 0.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.37 7.74 13.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.082 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.72 -19.89 52.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.68 9.32 82.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.55 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -113.22 -18.21 12.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 110.908 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.33 -30.96 7.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.476 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -107.28 146.29 31.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.967 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.785 HG22 ' HA ' ' A' ' 22' ' ' ASP . 15.2 pt -94.91 177.89 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.408 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 13.8 m -99.59 165.78 11.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.819 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.647 ' CZ ' HG22 ' A' ' 54' ' ' THR . 1.4 m-85 -47.59 -56.89 6.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -53.72 -47.49 70.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.408 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 2.3 mm-40 -59.62 -39.51 84.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.803 HD22 HD13 ' A' ' 69' ' ' ILE . 11.0 tp -57.31 -63.15 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -48.02 -50.24 28.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.59 -34.8 74.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.2 tp -68.71 -36.29 78.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.96 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.76 ' CD2' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -62.24 -47.91 82.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -75.51 -34.96 60.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.54 -27.16 66.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.9 11.62 17.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.062 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 88.8 m 50.15 56.5 7.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.76 HD23 ' CD2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -89.93 161.86 37.15 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.662 0.744 . . . . 0.0 110.879 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -49.47 0.56 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.645 2.23 . . . . 0.0 112.406 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.472 ' N ' HD23 ' A' ' 45' ' ' LEU . 1.4 mt -52.05 140.45 31.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 0.0 110.965 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.489 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 54.2 Cg_endo -69.74 -168.52 0.28 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.38 -39.78 10.71 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.415 ' CZ ' ' HG3' ' A' ' 46' ' ' PRO . 55.0 p90 -69.3 -39.88 78.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.328 . . . . 0.0 110.863 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.489 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -53.82 -49.18 68.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.6 t -65.19 -59.84 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.59 -36.5 45.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -71.44 -54.5 10.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.909 HG21 HG23 ' A' ' 77' ' ' ILE . 24.2 mt -48.6 -40.03 10.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.647 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -72.15 -58.35 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.166 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.654 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -51.65 -34.5 38.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -87.05 -22.11 25.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.642 HD11 HG12 ' A' ' 77' ' ' ILE . 3.4 mt -63.17 -60.17 3.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.558 ' HB3' ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -83.51 -8.34 59.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 179.862 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 55' ' ' GLU . . . -46.58 -26.67 0.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.084 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.1 p -105.49 -57.48 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.153 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 172.48 43.72 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.53 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.552 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -90.64 -55.09 3.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 110.929 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.724 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -95.31 27.31 3.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -73.69 -7.01 50.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.86 -26.16 66.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.09 -33.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.27 -18.72 20.72 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.537 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -82.09 -168.58 2.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 0.0 110.831 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.803 HD13 HD22 ' A' ' 34' ' ' LEU . 27.8 mt -145.57 114.6 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.65 156.36 21.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -45.11 -36.97 3.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.814 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -54.9 -52.53 62.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.44 -45.65 88.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.53 ' HZ ' HD21 ' A' ' 43' ' ' LEU . 10.0 t80 -52.87 -52.04 58.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.666 HD12 ' CG2' ' A' ' 6' ' ' VAL . 47.6 mm -57.47 -57.57 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.081 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.36 -33.12 41.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.909 HG23 HG21 ' A' ' 53' ' ' ILE . 27.1 mt -76.25 -40.5 36.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -68.01 -38.66 82.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.576 ' HB3' HD12 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -79.55 -34.74 40.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.878 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.12 52.71 1.71 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.424 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.576 HD12 ' HB3' ' A' ' 79' ' ' HIS . 1.3 mt -140.38 177.66 7.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.898 0.38 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.796 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.7 mmt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.818 0.342 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.5 64.28 1.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.058 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.3 152.69 2.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.97 -172.95 36.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.441 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.1 m -153.71 -46.22 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.855 0.36 . . . . 0.0 110.887 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.653 ' HB ' HG23 ' A' ' 75' ' ' ILE . 0.3 OUTLIER -52.46 150.15 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.92 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.462 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.6 OUTLIER -50.63 154.18 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.884 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.17 -55.0 32.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -48.23 -60.04 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.518 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -56.84 -55.38 35.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.58 -43.84 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.4 tpt -68.78 -47.6 65.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.81 -60.48 2.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.572 HD13 ' HE1' ' A' ' 74' ' ' PHE . 7.9 mt -46.81 -48.89 20.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -44.11 97.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -51.06 -60.48 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.34 -55.08 39.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.076 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.691 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 21.3 t80 -41.7 -54.46 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.858 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.75 -46.38 59.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -55.27 -27.78 48.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.965 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.657 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -106.63 6.22 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.819 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -118.84 75.45 1.03 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.76 -6.04 59.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.166 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -63.39 -25.55 68.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.827 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.97 -0.11 79.95 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.06 22.11 15.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.389 . . . . 0.0 110.854 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.01 38.16 74.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -124.6 141.81 51.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.945 0.402 . . . . 0.0 110.864 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.691 HG23 ' CZ ' ' A' ' 18' ' ' PHE . 47.1 pt -135.09 142.63 39.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.121 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.42 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 11.8 m -75.43 164.62 26.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.624 ' CZ ' HG22 ' A' ' 54' ' ' THR . 1.6 m-85 -47.17 -56.86 5.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.811 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -54.28 -47.33 72.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.42 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 1.7 mm-40 -59.09 -39.39 82.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.821 HD22 HD13 ' A' ' 69' ' ' ILE . 10.2 tp -57.78 -63.69 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -47.55 -47.56 28.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -61.73 -37.22 83.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.695 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.1 tp -64.93 -42.22 94.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.685 ' CE1' HD12 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -55.47 -55.14 35.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.5 mttt -69.3 -36.51 77.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.97 -30.25 71.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.072 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.401 ' HB3' HD23 ' A' ' 43' ' ' LEU . . . -94.43 18.6 10.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.9 t 51.47 58.1 5.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.685 HD12 ' CE1' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -82.45 151.19 65.09 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.608 0.718 . . . . 0.0 110.943 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.5 ' HD2' HD13 ' A' ' 43' ' ' LEU . 53.2 Cg_endo -69.77 -48.04 0.8 Allowed 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.731 2.287 . . . . 0.0 112.316 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.481 ' N ' HD23 ' A' ' 45' ' ' LEU . 2.8 mt -55.04 145.84 42.03 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.62 0.724 . . . . 0.0 110.942 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.474 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.1 Cg_endo -69.8 -168.1 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.706 2.271 . . . . 0.0 112.336 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.03 -39.93 11.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.422 ' CZ ' ' HG3' ' A' ' 46' ' ' PRO . 55.2 p90 -69.37 -38.68 78.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.918 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.474 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -55.6 -50.11 70.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.851 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 90.8 t -64.24 -57.45 11.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -36.03 62.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -71.08 -53.53 14.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.915 HG21 HG23 ' A' ' 77' ' ' ILE . 21.7 mt -49.31 -39.94 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.129 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.624 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -72.01 -58.44 3.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.661 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -52.2 -33.76 42.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -87.36 -22.03 25.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.546 HD11 HG12 ' A' ' 77' ' ' ILE . 3.4 mt -63.9 -59.26 4.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.567 ' HB3' ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -84.01 -8.25 59.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.868 179.841 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.661 ' HB2' ' O ' ' A' ' 55' ' ' GLU . . . -46.7 -26.62 0.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.9 p -105.09 -57.94 1.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.198 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.13 44.56 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.476 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.561 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -92.06 -54.87 3.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.891 0.377 . . . . 0.0 110.859 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.73 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -97.95 12.59 33.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -57.32 -19.15 20.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -49.96 -31.37 12.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.87 -29.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.12 -4.5 22.18 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.421 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.65 -179.43 6.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.791 0.329 . . . . 0.0 110.852 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.821 HD13 HD22 ' A' ' 34' ' ' LEU . 73.7 mt -142.07 108.03 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.166 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.52 153.72 33.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -46.92 -34.26 5.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -56.25 -53.05 61.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -57.21 -47.7 80.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.572 ' HE1' HD13 ' A' ' 14' ' ' LEU . 7.0 t80 -52.72 -46.98 67.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.653 HG23 ' HB ' ' A' ' 6' ' ' VAL . 33.2 mm -60.32 -58.88 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -51.14 -34.09 29.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.915 HG23 HG21 ' A' ' 53' ' ' ILE . 24.1 mt -71.31 -40.74 73.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.123 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.417 ' CE2' HD13 ' A' ' 43' ' ' LEU . 57.9 t80 -63.88 -41.83 97.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.59 -34.36 60.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.29 56.56 3.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -107.35 108.64 20.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.961 179.825 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.756 0.312 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.04 153.08 49.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.083 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -134.65 -173.92 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.46 79.03 0.17 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.434 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 m -130.59 -67.13 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 110.832 -179.75 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.78 ' HB ' HG23 ' A' ' 75' ' ' ILE . 0.7 OUTLIER -51.84 156.11 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.08 179.938 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.77 148.48 4.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.82 -179.81 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.54 -53.29 39.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -48.71 -60.13 2.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.896 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.574 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -57.22 -57.11 14.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.945 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.518 ' SD ' HG12 ' A' ' 6' ' ' VAL . 12.0 tpt -38.2 -43.6 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.1 mmt -68.24 -46.29 70.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -68.38 -59.92 2.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 7.3 mt -47.54 -46.6 27.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -49.68 75.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.96 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -49.58 -60.8 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.62 -54.42 47.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.701 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 11.5 t80 -41.72 -55.77 2.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.906 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.05 -45.66 52.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -56.31 -26.72 53.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.64 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -108.61 5.7 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.183 179.788 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.635 ' HA ' HG22 ' A' ' 29' ' ' ILE . 7.8 t0 -87.98 83.12 7.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.862 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -59.53 -39.57 84.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -61.51 -25.92 67.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.67 2.47 44.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -114.05 23.0 13.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.22 28.77 43.43 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -122.84 133.51 54.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.821 0.343 . . . . 0.0 110.922 -179.796 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.701 HG23 ' CZ ' ' A' ' 18' ' ' PHE . 43.6 pt -135.76 145.28 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.097 179.88 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.3 t -77.9 165.67 23.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.595 ' CE2' HD23 ' A' ' 63' ' ' LEU . 3.3 m-85 -46.55 -56.7 5.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -53.82 -45.57 70.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.416 ' HB2' ' HB ' ' A' ' 29' ' ' ILE . 29.8 mt-10 -59.57 -38.94 82.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.557 HD22 HD13 ' A' ' 69' ' ' ILE . 7.3 tp -59.35 -60.53 3.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -48.49 -46.87 38.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -64.43 -34.36 78.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.746 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.9 tp -66.39 -37.78 86.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.717 ' HA ' HD23 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -65.61 -50.47 64.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -65.75 -36.03 82.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.17 -26.19 58.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.075 179.857 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.838 ' HB3' HD22 ' A' ' 43' ' ' LEU . . . -82.8 -8.55 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.8 m 64.82 43.22 4.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.838 HD22 ' HB3' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -73.05 158.96 86.32 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.536 0.684 . . . . 0.0 110.928 -179.918 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -26.68 27.5 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.645 2.23 . . . . 0.0 112.343 179.815 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.476 ' N ' HD23 ' A' ' 45' ' ' LEU . 2.4 mt -75.84 142.66 73.47 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.602 0.715 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.48 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 54.1 Cg_endo -69.83 -166.74 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.629 2.219 . . . . 0.0 112.346 179.853 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.69 -43.39 8.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.455 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.5 p90 -66.37 -40.65 89.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 0.0 110.886 -179.743 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.48 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -51.92 -53.43 41.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.838 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.5 HG21 ' CG ' ' A' ' 38' ' ' PHE . 48.3 t -61.17 -55.48 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.84 -55.42 17.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -55.24 -50.35 69.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.784 HG21 HG23 ' A' ' 77' ' ' ILE . 34.4 mt -50.71 -41.28 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.508 HG21 HD23 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -66.71 -63.11 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.971 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -39.35 36.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -62.64 -50.77 69.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.775 HD23 ' HB3' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -56.16 -57.54 11.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.997 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.524 ' CG ' ' HB2' ' A' ' 63' ' ' LEU . 0.9 OUTLIER -48.54 -28.76 3.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.773 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.77 -32.28 52.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.146 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.3 p -91.56 40.6 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 47.8 53.51 13.55 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.453 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.775 ' HB3' HD23 ' A' ' 57' ' ' LEU . 11.5 m-20 -109.29 -46.08 3.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.867 0.365 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.704 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -103.9 9.75 36.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.961 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -60.92 -17.17 49.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.874 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -53.18 -51.74 61.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.41 -27.88 0.41 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.18 -32.79 5.75 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.76 -170.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.731 0.301 . . . . 0.0 110.902 -179.856 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.557 HD13 HD22 ' A' ' 34' ' ' LEU . 66.4 mt -142.57 105.47 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.38 155.51 28.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.817 -179.918 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.451 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 4.4 t80 -48.55 -30.93 5.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.14 -54.07 51.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.452 ' O ' HD12 ' A' ' 77' ' ' ILE . 1.0 OUTLIER -58.94 -42.81 90.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.911 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.56 ' HE2' HD13 ' A' ' 14' ' ' LEU . 17.2 t80 -56.04 -52.29 64.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.78 HG23 ' HB ' ' A' ' 6' ' ' VAL . 38.7 mm -57.63 -60.4 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.0 tttm -53.32 -36.07 60.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.784 HG23 HG21 ' A' ' 53' ' ' ILE . 13.2 mt -69.14 -38.95 78.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.871 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.531 ' CZ ' HD12 ' A' ' 43' ' ' LEU . 33.8 t80 -65.89 -43.69 87.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.534 ' HB3' HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -71.04 -34.9 71.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.801 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.87 56.98 5.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.544 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.534 HD23 ' HB3' ' A' ' 79' ' ' HIS . 2.2 pp -135.13 131.01 36.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.942 0.401 . . . . 0.0 110.902 -179.87 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 179.855 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.26 -171.72 3.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -90.25 -50.82 5.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.864 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.47 -153.32 26.13 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.526 -179.914 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -127.98 -43.8 1.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.929 0.395 . . . . 0.0 110.887 -179.768 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.676 HG13 HG23 ' A' ' 75' ' ' ILE . 2.9 m -50.71 156.62 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.169 179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.73 172.58 13.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.819 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.35 -45.83 76.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.897 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -54.61 -60.2 3.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.687 ' HG2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -64.35 -63.11 1.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.883 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.592 ' HB2' HG23 ' A' ' 6' ' ' VAL . 4.0 tpp -37.1 -42.89 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.915 179.905 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -68.17 -49.12 62.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.51 -60.32 2.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.687 HD11 ' HG2' ' A' ' 10' ' ' GLU . 11.2 mt -45.83 -48.32 15.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.892 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -45.71 90.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -49.44 -59.32 3.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.466 ' HB3' ' CD1' ' A' ' 37' ' ' LEU . . . -60.11 -54.96 39.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.886 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.764 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 9.0 t80 -41.39 -38.0 1.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.1 -52.8 63.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.105 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -20.53 21.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.589 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -110.31 4.77 8.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.891 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -90.4 75.67 6.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.9 p -51.76 -45.39 63.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -61.44 -25.85 67.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.19 6.81 48.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -113.58 22.2 14.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.904 0.383 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.49 32.12 28.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.446 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -127.43 140.03 52.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.83 0.348 . . . . 0.0 111.002 -179.863 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.764 HG23 ' CZ ' ' A' ' 18' ' ' PHE . 49.4 pt -139.13 148.78 23.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.164 179.923 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.424 ' HB3' ' HG2' ' A' ' 33' ' ' GLU . 10.2 t -80.36 161.28 25.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.863 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.646 ' CZ ' HG22 ' A' ' 54' ' ' THR . 0.7 OUTLIER -44.85 -55.05 5.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -55.78 -47.0 77.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.424 ' HG2' ' HB3' ' A' ' 30' ' ' SER . 1.3 mm-40 -58.98 -39.92 83.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.736 HD22 HD13 ' A' ' 69' ' ' ILE . 6.0 tp -56.0 -63.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -48.11 -45.81 33.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -62.89 -37.91 88.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.812 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.687 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.6 tp -64.75 -40.64 95.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.996 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.709 ' CE2' HD12 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -56.66 -55.02 39.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.912 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -70.07 -38.99 75.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.41 -32.58 71.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 179.857 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.91 18.29 9.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 83.2 m 50.71 60.04 4.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.709 HD12 ' CE2' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -81.56 154.11 71.1 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.644 0.735 . . . . 0.0 110.871 -179.886 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.531 ' HD2' HD13 ' A' ' 43' ' ' LEU . 52.3 Cg_endo -69.83 -41.67 3.99 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.627 2.218 . . . . 0.0 112.282 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.482 ' N ' HD23 ' A' ' 45' ' ' LEU . 3.1 mt -65.38 147.06 98.85 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.59 0.71 . . . . 0.0 110.992 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.476 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.4 Cg_endo -69.79 -168.95 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.708 2.272 . . . . 0.0 112.358 179.883 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.72 -39.29 12.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.51 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.411 ' CZ ' ' HG3' ' A' ' 46' ' ' PRO . 55.5 p90 -69.88 -37.93 76.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.889 0.376 . . . . 0.0 110.941 -179.793 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.476 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -56.49 -51.85 66.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.87 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.5 t -63.45 -56.15 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -39.18 65.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -70.78 -50.86 31.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.714 HG21 HG23 ' A' ' 77' ' ' ILE . 22.7 mt -49.58 -41.98 16.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.646 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -72.28 -56.73 5.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.916 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.632 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -52.25 -35.16 49.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.98 -21.61 26.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.703 HD11 HG12 ' A' ' 77' ' ' ILE . 3.3 mt -64.06 -59.05 4.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.001 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.577 ' HA ' ' H ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -85.26 -6.68 59.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.781 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.632 ' HB2' ' O ' ' A' ' 55' ' ' GLU . . . -46.21 -25.72 0.66 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 179.899 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.4 p -107.24 -57.8 2.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 -179.879 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.38 46.85 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.505 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.577 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -94.68 -55.87 2.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.876 0.37 . . . . 0.0 110.856 -179.956 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.723 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -95.02 -11.23 28.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.968 -179.95 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -49.69 -24.02 2.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -50.65 -33.54 22.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -147.17 -37.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.47 -38.38 3.23 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.475 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.2 mtm180 -72.38 -169.28 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.765 0.317 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.736 HD13 HD22 ' A' ' 34' ' ' LEU . 95.2 mt -143.03 107.45 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.31 151.64 34.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.493 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 5.2 t80 -46.45 -39.34 10.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -51.62 -54.58 26.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.64 -42.57 79.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.887 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.538 ' HE2' HD13 ' A' ' 14' ' ' LEU . 10.2 t80 -56.61 -46.42 80.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.676 HG23 HG13 ' A' ' 6' ' ' VAL . 49.2 mm -61.3 -56.11 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.523 ' HD3' HD22 ' A' ' 81' ' ' LEU . 4.9 tttp -52.35 -38.5 58.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.714 HG23 HG21 ' A' ' 53' ' ' ILE . 28.0 mt -67.64 -42.57 86.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.836 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.412 ' CE2' HD13 ' A' ' 43' ' ' LEU . 62.5 t80 -63.32 -35.5 80.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.55 -35.05 60.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.819 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.39 58.28 1.02 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.508 -179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.523 HD22 ' HD3' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -50.1 104.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.39 . . . . 0.0 110.979 -179.94 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.4 pptp? . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.918 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.845 0.355 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.2 176.65 9.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.143 179.86 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -89.51 -63.96 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.19 166.36 12.33 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.91 -59.92 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.873 -179.742 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.859 HG13 HG23 ' A' ' 75' ' ' ILE . 6.3 m -51.59 149.95 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.07 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.98 165.76 1.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.862 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.82 -47.95 67.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -51.24 -60.49 3.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.926 -179.901 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.544 ' HG2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -62.08 -58.94 5.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.888 -179.999 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.29 -43.73 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -69.1 -50.47 47.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.856 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -66.04 -60.99 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.547 HD13 ' HE1' ' A' ' 74' ' ' PHE . 12.7 mt -45.96 -48.16 16.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -46.78 89.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -50.26 -60.63 2.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.891 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.59 -55.16 38.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.646 ' HA ' HD22 ' A' ' 37' ' ' LEU . 30.0 t80 -41.57 -55.87 2.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.8 -46.38 59.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -55.34 -28.44 53.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.659 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -107.67 5.32 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.903 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.791 ' HA ' HG22 ' A' ' 29' ' ' ILE . 25.3 t0 -107.33 49.65 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.2 t -81.74 6.64 14.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.55 -16.06 44.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.39 12.33 58.26 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 -179.906 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -112.33 -18.34 12.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.8 -16.52 33.57 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.455 179.915 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 70' ' ' SER . 2.3 p90 -122.07 146.86 46.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 110.898 -179.858 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.791 HG22 ' HA ' ' A' ' 22' ' ' ASP . 13.1 pt -97.65 177.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.15 179.885 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.3 t -99.14 165.44 11.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.7 ' CE1' HD23 ' A' ' 63' ' ' LEU . 3.6 m-85 -46.65 -57.42 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -54.2 -46.18 72.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.402 ' HB2' ' HB ' ' A' ' 29' ' ' ILE . 35.2 mt-10 -59.07 -40.27 84.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.654 HD22 HD13 ' A' ' 69' ' ' ILE . 10.7 tp -57.83 -62.31 1.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.443 ' HA ' HG11 ' A' ' 50' ' ' VAL . 18.7 t30 -47.93 -46.97 32.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.81 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -63.26 -35.7 81.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.722 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.3 tp -65.44 -39.7 92.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.691 ' CE2' HD12 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -60.37 -56.8 17.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -63.02 -40.08 96.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.62 -23.37 63.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.712 ' HB3' HD23 ' A' ' 43' ' ' LEU . . . -93.32 17.96 10.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.8 t 51.2 41.83 28.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.712 HD23 ' HB3' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -72.27 150.96 92.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.576 0.703 . . . . 0.0 110.924 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.446 ' HD2' HD13 ' A' ' 43' ' ' LEU . 54.2 Cg_endo -69.72 -48.61 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.72 2.28 . . . . 0.0 112.323 179.801 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.497 ' N ' HD23 ' A' ' 45' ' ' LEU . 2.3 mt -54.35 144.36 41.92 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.613 0.721 . . . . 0.0 110.942 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.46 ' CG ' ' HG3' ' A' ' 49' ' ' ARG . 53.4 Cg_endo -69.79 -167.86 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.273 . . . . 0.0 112.34 179.839 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.68 -43.36 9.19 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.431 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -65.95 -38.62 89.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.915 0.388 . . . . 0.0 110.974 -179.836 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.467 ' HD2' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -54.28 -54.63 37.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.443 HG11 ' HA ' ' A' ' 35' ' ' ASN . 98.8 t -58.98 -53.95 40.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.147 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -51.15 63.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -59.23 -42.61 91.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.881 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.842 HG21 HG23 ' A' ' 77' ' ' ILE . 25.0 mt -59.6 -33.46 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.923 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.454 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -73.36 -63.43 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -34.42 59.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.582 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 35.3 t30 -66.84 -49.64 65.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.69 HD23 ' HB3' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -57.76 -60.04 4.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.541 ' HB2' HD22 ' A' ' 63' ' ' LEU . 1.0 OUTLIER -47.39 -27.92 1.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.838 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 56' ' ' ASN . . . -59.87 -39.62 85.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.08 179.883 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.513 HG22 ' O ' ' A' ' 57' ' ' LEU . 10.3 t -93.1 35.42 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 -179.827 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 55.1 24.85 37.04 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.69 ' HB3' HD23 ' A' ' 57' ' ' LEU . 29.4 m-20 -67.87 -44.55 76.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.721 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -100.34 21.32 13.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -69.12 -10.84 59.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 179.837 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.64 -22.05 31.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.898 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.34 -27.46 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.813 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.67 -13.52 22.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.465 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -88.14 -165.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.746 0.308 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.654 HD13 HD22 ' A' ' 34' ' ' LEU . 42.6 mt -145.42 106.34 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.411 ' HA ' ' HA ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -79.84 157.04 27.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -46.62 -34.53 5.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.823 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -56.18 -54.5 44.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -56.9 -43.95 81.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.834 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.547 ' HE1' HD13 ' A' ' 14' ' ' LEU . 13.7 t80 -55.13 -52.64 62.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.879 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.859 HG23 HG13 ' A' ' 6' ' ' VAL . 46.9 mm -56.83 -57.67 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.182 179.919 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -52.02 -33.18 37.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.857 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.842 HG23 HG21 ' A' ' 53' ' ' ILE . 27.0 mt -72.72 -42.39 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.915 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -62.34 -38.79 90.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.98 -34.57 44.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 83.04 -58.19 5.05 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.524 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 mp -139.6 130.13 25.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 0.0 110.944 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.843 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.863 0.363 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.18 -176.15 5.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.5 mtt180 -121.75 -73.69 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.883 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.29 106.75 0.7 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.435 ' HB2' HG21 ' A' ' 75' ' ' ILE . 4.9 p -178.75 -176.33 0.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.96 0.409 . . . . 0.0 110.819 -179.707 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.652 HG11 ' CD1' ' A' ' 14' ' ' LEU . 5.4 m -52.55 146.75 2.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.165 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.61 170.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.879 -179.857 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.01 -49.3 69.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -51.65 -60.53 3.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.584 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -59.98 -60.99 2.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.958 -179.961 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.433 ' HB2' HG23 ' A' ' 6' ' ' VAL . 4.7 tpt -37.36 -42.15 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 29.0 ttp -68.35 -48.91 63.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.93 -58.94 4.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.652 ' CD1' HG11 ' A' ' 6' ' ' VAL . 5.9 mt -47.97 -48.95 32.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -46.46 87.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -49.47 -58.94 4.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.29 -55.58 33.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.107 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.63 ' HA ' HD22 ' A' ' 37' ' ' LEU . 29.3 t80 -41.48 -55.49 2.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.859 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.78 -46.49 59.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.4 mtmm -54.97 -28.45 51.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.675 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -107.66 5.57 9.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.904 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.726 ' HA ' HG22 ' A' ' 29' ' ' ILE . 27.5 t0 -109.17 46.17 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.25 7.37 16.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.179 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.53 -21.26 59.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.84 11.33 85.52 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.465 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -113.64 -19.54 11.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.832 -179.87 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.26 -31.1 7.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -107.74 145.23 33.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.921 -179.786 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.726 HG22 ' HA ' ' A' ' 22' ' ' ASP . 13.1 pt -94.39 177.71 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.412 ' HB3' ' HG2' ' A' ' 33' ' ' GLU . 11.6 t -98.95 161.7 13.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 -179.893 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.703 ' CZ ' HD23 ' A' ' 63' ' ' LEU . 13.9 m-85 -45.1 -55.47 5.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 -179.897 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -54.73 -47.4 73.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.412 ' HG2' ' HB3' ' A' ' 30' ' ' SER . 1.2 mm-40 -60.21 -39.99 88.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.75 HD22 HD13 ' A' ' 69' ' ' ILE . 8.5 tp -56.63 -61.55 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -50.19 -48.26 54.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -61.96 -33.72 74.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.675 ' HB2' HG21 ' A' ' 21' ' ' VAL . 1.2 tp -68.65 -37.62 79.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.779 ' CD2' HD23 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -62.3 -52.84 62.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.887 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.9 mtpt -66.79 -42.65 85.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.21 -20.58 64.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.881 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.41 ' HB3' HD22 ' A' ' 43' ' ' LEU . . . -85.16 4.41 34.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.1 t 57.03 31.39 19.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.921 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.779 HD23 ' CD2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -69.27 159.99 80.87 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.565 0.698 . . . . 0.0 110.919 -179.914 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -48.58 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.667 2.244 . . . . 0.0 112.414 179.826 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.469 ' N ' HD23 ' A' ' 45' ' ' LEU . 1.3 mt -49.94 139.24 17.6 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.656 0.741 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.458 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.7 Cg_endo -69.7 -169.83 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.703 2.269 . . . . 0.0 112.298 179.869 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.64 -40.76 11.99 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.48 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -67.95 -36.21 79.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.905 0.383 . . . . 0.0 110.955 -179.79 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.458 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -56.49 -51.07 69.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 -179.972 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.9 t -62.95 -57.52 11.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.75 -45.84 67.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -64.31 -49.87 70.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 1.035 HG21 HG23 ' A' ' 77' ' ' ILE . 21.9 mt -49.27 -40.32 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.447 HG21 HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -71.49 -54.5 10.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.34 -34.71 24.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.511 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 1.5 m120 -85.33 -29.26 24.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.915 -179.933 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.605 HD11 HG12 ' A' ' 77' ' ' ILE . 5.9 mt -61.57 -64.51 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.626 ' HB3' ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -65.19 -13.1 57.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.802 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 56' ' ' ASN . . . -47.92 -25.29 1.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.17 179.911 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.2 p -122.2 50.11 1.5 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.205 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 51.5 49.13 46.99 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.461 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.434 ' HB2' ' HA ' ' A' ' 58' ' ' MET . 2.0 m-20 -96.14 -53.69 3.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.885 0.374 . . . . 0.0 110.838 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.745 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -97.36 13.13 30.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.936 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -91.64 -13.14 32.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -49.39 -31.51 9.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.47 -35.55 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.53 9.06 22.11 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -130.9 -165.72 1.6 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.85 0.357 . . . . 0.0 110.835 -179.839 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.75 HD13 HD22 ' A' ' 34' ' ' LEU . 26.0 mt -144.13 111.43 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.73 157.8 24.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.468 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 4.8 t80 -46.94 -35.25 6.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -53.91 -55.55 25.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.24 -45.03 80.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.555 ' HZ ' HD21 ' A' ' 43' ' ' LEU . 11.7 t80 -53.28 -53.18 54.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 -179.835 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.613 HD12 ' CG2' ' A' ' 6' ' ' VAL . 46.2 mm -55.67 -58.98 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.153 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -52.77 -29.63 28.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 179.855 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 1.035 HG23 HG21 ' A' ' 53' ' ' ILE . 22.6 mt -76.74 -45.01 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -60.24 -44.04 95.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.405 ' HD2' HG12 ' A' ' 6' ' ' VAL . 0.2 OUTLIER -78.28 -34.9 48.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 179.969 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 55.82 50.47 60.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.521 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.2 mt -140.72 128.94 22.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.891 0.377 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.808 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.695 0.283 . . . . 0.0 110.805 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.91 128.28 48.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.03 176.74 1.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.37 -175.0 0.52 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.531 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.609 ' HA ' HG21 ' A' ' 75' ' ' ILE . 77.6 p -174.76 141.44 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.93 0.395 . . . . 0.0 110.799 -179.757 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.711 ' CG2' HD12 ' A' ' 75' ' ' ILE . 2.6 m -108.46 147.48 13.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.15 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.47 165.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.19 -50.84 61.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -51.63 -60.51 3.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.521 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -58.1 -59.41 5.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 -179.963 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.61 -44.18 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.3 mmt -67.93 -47.13 69.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.859 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.75 -60.87 2.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.68 ' CD1' HG11 ' A' ' 6' ' ' VAL . 7.1 mt -46.27 -47.46 18.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.968 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.54 -43.22 90.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.91 -55.24 15.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.437 ' HB3' ' CD1' ' A' ' 37' ' ' LEU . . . -66.81 -54.14 25.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.925 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.481 ' HA ' HD22 ' A' ' 37' ' ' LEU . 20.8 t80 -42.44 -35.1 0.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.58 -52.63 60.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.48 -21.16 23.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.616 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -109.0 3.69 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.111 179.93 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.556 ' HA ' HG22 ' A' ' 29' ' ' ILE . 29.0 t70 -115.77 45.0 1.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.4 p -83.9 5.77 24.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 -179.905 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.96 -16.39 50.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.71 13.9 75.13 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 -179.901 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 28' ' ' TYR . 13.0 m120 -110.55 -19.95 12.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.952 0.405 . . . . 0.0 110.921 -179.891 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.2 -22.3 31.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.473 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.401 ' CZ ' ' HB3' ' A' ' 26' ' ' ASN . 1.6 p90 -116.05 150.67 36.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.37 . . . . 0.0 110.879 -179.788 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.556 HG22 ' HA ' ' A' ' 22' ' ' ASP . 21.8 pt -101.83 177.83 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.164 179.894 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.402 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 11.8 m -99.79 164.37 12.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.877 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.567 ' CE2' HD23 ' A' ' 63' ' ' LEU . 4.0 m-85 -46.85 -56.57 6.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -54.4 -46.8 73.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.402 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 0.5 OUTLIER -59.29 -40.4 86.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.62 HD22 HD13 ' A' ' 69' ' ' ILE . 8.1 tp -56.48 -61.99 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -49.38 -44.78 45.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -64.4 -33.84 76.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.899 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.671 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.1 tp -67.7 -40.48 84.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.776 ' HA ' HD23 ' A' ' 43' ' ' LEU . 0.8 OUTLIER -62.65 -46.2 89.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.902 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -71.93 -32.06 66.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.01 -28.28 61.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.964 ' HB3' HD22 ' A' ' 43' ' ' LEU . . . -85.03 -0.85 55.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.5 m 62.78 31.75 16.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.964 HD22 ' HB3' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -61.46 160.99 21.13 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.572 0.701 . . . . 0.0 110.928 -179.906 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -47.13 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.727 2.285 . . . . 0.0 112.266 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.501 ' N ' HD23 ' A' ' 45' ' ' LEU . 1.9 mt -54.64 141.61 55.11 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.586 0.708 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.466 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 54.1 Cg_endo -69.7 -166.93 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.239 . . . . 0.0 112.419 179.833 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.26 -44.59 7.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -64.97 -39.73 93.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.825 0.345 . . . . 0.0 110.921 -179.796 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.466 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -52.98 -54.8 29.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.963 179.949 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.449 HG21 ' CB ' ' A' ' 38' ' ' PHE . 60.1 t -57.9 -56.9 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.6 -57.61 8.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -53.18 -49.85 65.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.851 HG21 HG23 ' A' ' 77' ' ' ILE . 31.6 mt -51.0 -40.79 21.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.458 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -66.29 -62.05 1.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.958 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.69 -38.02 31.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -63.99 -50.98 66.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.766 HD23 ' HB3' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -55.51 -57.02 13.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.928 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.525 ' CG ' ' HB2' ' A' ' 63' ' ' LEU . 1.2 ttm -48.97 -26.77 2.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.794 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.34 -30.58 30.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.1 p -91.84 40.37 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 48.59 53.23 17.54 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.524 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.766 ' HB3' HD23 ' A' ' 57' ' ' LEU . 11.3 m-20 -110.65 -46.1 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.874 0.369 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.704 HD12 ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -105.05 22.92 14.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.949 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -76.46 -5.83 49.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.787 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -72.84 -27.12 61.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -164.35 -35.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.45 -20.58 18.27 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.449 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -77.09 -165.33 0.55 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.83 0.347 . . . . 0.0 110.848 -179.859 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.62 HD13 HD22 ' A' ' 34' ' ' LEU . 24.2 mt -145.2 105.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.47 153.9 27.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.886 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.437 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 4.1 t80 -44.9 -36.13 3.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 -179.872 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -55.53 -54.24 46.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.425 ' O ' HD12 ' A' ' 77' ' ' ILE . 1.4 mp0 -56.83 -41.61 78.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.53 ' HE1' HD13 ' A' ' 14' ' ' LEU . 17.0 t80 -57.63 -53.17 61.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.804 -179.865 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.711 HD12 ' CG2' ' A' ' 6' ' ' VAL . 48.3 mm -55.98 -59.38 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -52.65 -33.69 48.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.851 HG23 HG21 ' A' ' 53' ' ' ILE . 20.9 mt -73.41 -43.05 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.919 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.459 ' CZ ' HD12 ' A' ' 43' ' ' LEU . 10.7 t80 -62.78 -46.71 86.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.419 ' CE1' ' HA ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -72.41 -34.62 67.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 179.955 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 57.16 52.51 50.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.472 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.5 mt -140.28 129.85 24.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.349 . . . . 0.0 110.929 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.3 mttt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.881 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.6 ptt? . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.783 0.325 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 60.58 48.47 7.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.17 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.78 158.16 14.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.827 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.92 127.15 1.09 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 -179.94 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.501 ' HB2' HG21 ' A' ' 75' ' ' ILE . 49.9 m -133.84 -69.55 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.902 -179.818 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.729 ' HB ' HG23 ' A' ' 75' ' ' ILE . 0.3 OUTLIER -56.83 155.26 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.961 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.441 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER -49.51 152.52 1.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 -179.858 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.57 -56.27 18.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -47.94 -60.15 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.534 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -56.27 -55.59 31.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.912 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.26 -44.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.7 ttt -68.13 -47.72 67.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -67.49 -60.38 2.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.548 HD13 ' HE2' ' A' ' 74' ' ' PHE . 7.8 mt -46.85 -48.91 20.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.94 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -44.34 96.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.897 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -50.48 -59.95 3.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.22 -54.74 42.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.652 ' HA ' HD22 ' A' ' 37' ' ' LEU . 27.3 t80 -41.35 -56.58 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.66 -46.1 58.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.4 mtmm -55.46 -28.22 53.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.659 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -107.88 5.32 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 179.912 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.8 ' HA ' HG22 ' A' ' 29' ' ' ILE . 25.8 t0 -105.09 50.31 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 p -81.67 6.91 13.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 -179.885 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -16.44 47.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.09 11.55 58.87 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.461 -179.931 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -113.38 -17.72 12.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.949 0.404 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.56 -20.53 27.36 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.439 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -116.33 145.27 43.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 110.901 -179.815 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.8 HG22 ' HA ' ' A' ' 22' ' ' ASP . 18.5 pt -94.72 177.07 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.167 179.9 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.426 ' HB3' ' HG2' ' A' ' 33' ' ' GLU . 12.1 t -98.81 161.99 13.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.927 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.685 ' CZ ' HD23 ' A' ' 63' ' ' LEU . 7.1 m-85 -45.24 -55.71 5.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -55.08 -46.35 75.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.426 ' HG2' ' HB3' ' A' ' 30' ' ' SER . 2.1 mm-40 -60.45 -38.97 85.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.584 HD22 HD13 ' A' ' 69' ' ' ILE . 9.0 tp -57.81 -63.1 1.36 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -49.19 -47.88 45.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -62.5 -36.22 81.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.707 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.1 tp -64.71 -39.4 93.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.68 ' CE2' HD12 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -59.3 -58.67 7.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 179.934 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.5 -37.5 87.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.31 -21.53 62.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.031 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.75 ' HB3' HD23 ' A' ' 43' ' ' LEU . . . -93.86 19.63 8.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.088 179.935 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 54.8 m 50.95 38.67 20.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.75 HD23 ' HB3' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -66.93 145.93 99.0 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 110.898 -179.923 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.434 ' HD2' HD13 ' A' ' 43' ' ' LEU . 54.1 Cg_endo -69.74 -40.82 4.89 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.66 2.24 . . . . 0.0 112.372 179.822 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.532 HD13 ' HD2' ' A' ' 49' ' ' ARG . 2.1 mt -56.64 144.45 64.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.553 0.692 . . . . 0.0 110.97 179.939 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.469 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.7 Cg_endo -69.8 -169.52 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.402 179.891 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.5 -40.62 12.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.518 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -68.25 -36.3 79.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.897 0.38 . . . . 0.0 110.924 -179.845 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.532 ' HD2' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -56.38 -53.57 55.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.953 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.8 t -61.61 -57.14 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.32 -42.64 64.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.82 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -68.33 -48.54 64.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.926 HG21 HG23 ' A' ' 77' ' ' ILE . 20.1 mt -50.63 -34.68 12.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.066 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.551 HG21 HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -78.89 -48.55 14.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -58.56 -31.41 67.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.51 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 5.9 t-20 -87.78 -31.07 19.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.678 HD11 HG12 ' A' ' 77' ' ' ILE . 6.2 mt -61.51 -64.74 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.931 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.625 ' HB3' ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -65.32 -11.75 44.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.85 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 56' ' ' ASN . . . -48.92 -23.81 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.902 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.409 ' O ' HG23 ' A' ' 60' ' ' THR . 14.1 t -119.31 34.94 5.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.115 -179.88 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.02 34.13 87.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 57' ' ' LEU . 79.5 m-20 -78.8 -53.69 6.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.777 0.322 . . . . 0.0 110.779 -179.921 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.757 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -96.41 3.51 52.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.913 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.19 -14.78 42.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 179.882 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.18 -43.37 31.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.852 -179.91 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.32 -32.9 2.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.18 -4.33 28.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.452 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.12 -167.31 1.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 0.0 110.874 -179.87 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.584 HD13 HD22 ' A' ' 34' ' ' LEU . 30.6 mt -145.39 109.31 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.24 157.46 29.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.917 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -49.14 -32.52 10.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.78 -179.885 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -55.32 -56.33 21.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.26 -45.61 76.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.548 ' HE2' HD13 ' A' ' 14' ' ' LEU . 10.9 t80 -54.39 -50.04 68.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.729 HG23 ' HB ' ' A' ' 6' ' ' VAL . 34.8 mm -57.87 -59.87 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.202 179.918 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.38 -30.83 20.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.779 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.926 HG23 HG21 ' A' ' 53' ' ' ILE . 33.5 mt -72.11 -45.97 60.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.402 ' CE2' HD13 ' A' ' 43' ' ' LEU . 42.0 t80 -61.08 -39.94 91.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.738 ' HB3' HD23 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -77.13 -34.62 56.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.809 -179.954 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 59.36 57.31 20.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.458 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.738 HD23 ' HB3' ' A' ' 79' ' ' HIS . 2.7 pp -121.67 121.91 38.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.794 0.33 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.975 179.769 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.2 mmm . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.813 0.34 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.86 106.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -141.3 169.9 16.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.893 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.496 ' HA3' HG21 ' A' ' 75' ' ' ILE . . . 151.06 158.73 8.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.427 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.3 p -91.81 76.68 5.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.878 0.37 . . . . 0.0 110.796 -179.751 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.718 ' HB ' HG23 ' A' ' 75' ' ' ILE . 0.3 OUTLIER -135.53 147.03 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 179.892 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.422 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER -51.02 150.62 2.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.802 -179.775 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.14 -52.85 39.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -48.95 -60.22 2.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.817 -179.835 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.518 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -57.06 -54.95 40.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.925 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.78 -44.68 1.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.0 tpt -68.37 -46.5 69.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -68.53 -60.88 2.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.578 HD13 ' HE1' ' A' ' 74' ' ' PHE . 7.8 mt -46.75 -48.33 20.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -48.28 82.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -49.27 -58.95 4.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.29 -54.5 43.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.62 ' HA ' HD22 ' A' ' 37' ' ' LEU . 30.1 t80 -41.17 -56.71 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.921 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.81 -45.91 59.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.8 mtmt -56.12 -28.32 57.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.631 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -107.58 4.88 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 179.823 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.789 ' HA ' HG22 ' A' ' 29' ' ' ILE . 25.5 t0 -105.24 49.65 0.8 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.81 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.9 t -81.67 6.82 14.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.149 -179.908 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -61.2 -16.9 49.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.74 11.66 60.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -113.38 -17.61 12.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.857 0.361 . . . . 0.0 110.845 -179.882 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.3 -19.29 29.6 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.457 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -118.07 145.68 44.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 0.0 110.852 -179.784 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.789 HG22 ' HA ' ' A' ' 22' ' ' ASP . 18.0 pt -94.44 177.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.149 179.892 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.429 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 8.2 m -98.85 162.92 12.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.654 ' CZ ' HG22 ' A' ' 54' ' ' THR . 0.8 OUTLIER -45.89 -55.6 6.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -55.61 -46.5 77.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.429 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 1.0 OUTLIER -59.21 -39.64 83.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.737 HD22 HD13 ' A' ' 69' ' ' ILE . 5.0 tp -56.53 -62.35 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -48.87 -48.19 42.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -62.3 -34.28 76.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.871 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.738 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.7 tp -68.03 -34.53 76.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.849 ' CD2' HD12 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -65.57 -43.64 89.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.921 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -80.05 -30.99 39.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.97 -26.03 60.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.044 179.915 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.27 13.46 15.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.926 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.4 t 52.37 39.12 26.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.849 HD12 ' CD2' ' A' ' 38' ' ' PHE . 5.7 mt -72.49 158.94 86.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.622 0.725 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.516 ' HD2' ' HB3' ' A' ' 43' ' ' LEU . 54.9 Cg_endo -69.69 -51.59 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.637 2.225 . . . . 0.0 112.428 179.842 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.441 ' N ' HD23 ' A' ' 45' ' ' LEU . 1.2 mt -51.52 140.47 26.12 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.681 0.753 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.498 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 54.3 Cg_endo -69.77 -167.16 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.707 2.272 . . . . 0.0 112.391 179.825 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.52 -40.21 10.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.469 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.4 ' CZ ' ' HG3' ' A' ' 46' ' ' PRO . 55.7 p90 -69.34 -41.98 75.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.89 0.376 . . . . 0.0 110.876 -179.776 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.498 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -51.26 -45.93 62.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 -179.969 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.492 HG21 ' CG ' ' A' ' 38' ' ' PHE . 21.8 t -69.94 -57.33 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -37.97 38.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -71.69 -54.66 9.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.758 HG21 HG23 ' A' ' 77' ' ' ILE . 33.7 mt -47.93 -40.11 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.654 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -72.59 -58.42 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.943 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.677 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -51.7 -33.85 36.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.956 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -87.42 -22.8 24.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.669 HD11 HG12 ' A' ' 77' ' ' ILE . 3.6 mt -63.97 -59.55 4.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.577 ' HA ' ' H ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -84.52 -6.9 59.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.792 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.677 ' HB2' ' O ' ' A' ' 55' ' ' GLU . . . -45.87 -26.78 0.74 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.877 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.4 p -106.42 -57.96 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 -179.92 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.61 46.13 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.526 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.577 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -93.45 -55.35 3.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.836 0.351 . . . . 0.0 110.823 -179.893 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.724 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -95.51 -8.69 34.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.902 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -49.83 -23.67 2.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.856 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -51.64 -34.89 39.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.53 -37.0 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 63' ' ' LEU . . . 114.35 -38.15 3.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.481 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.6 mmt85 -75.66 -168.75 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.766 0.317 . . . . 0.0 110.917 -179.894 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.737 HD13 HD22 ' A' ' 34' ' ' LEU . 56.7 mt -141.94 113.56 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.127 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.12 155.33 26.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -47.61 -36.82 11.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.26 -54.74 35.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.955 179.926 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.86 -46.96 84.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.578 ' HE1' HD13 ' A' ' 14' ' ' LEU . 14.1 t80 -52.46 -45.45 66.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.718 HG23 ' HB ' ' A' ' 6' ' ' VAL . 35.1 mm -62.54 -58.84 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -51.6 -30.58 21.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.851 179.865 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.758 HG23 HG21 ' A' ' 53' ' ' ILE . 26.8 mt -74.3 -44.59 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.9 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -61.57 -34.44 75.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.425 ' CE1' ' HA ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -83.66 -34.36 25.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.889 179.964 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.56 -56.19 2.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.558 -179.951 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.7 pp -140.8 177.52 7.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.805 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 ptt? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.831 0.348 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.47 154.72 25.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -129.67 176.88 7.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.897 -179.907 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.38 107.67 0.54 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.54 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.577 ' HB2' HG21 ' A' ' 75' ' ' ILE . 61.1 m -154.36 -67.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.969 0.414 . . . . 0.0 110.85 -179.693 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.708 ' HB ' HG23 ' A' ' 75' ' ' ILE . 0.3 OUTLIER -70.17 152.2 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.129 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.449 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.5 OUTLIER -50.3 154.28 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.828 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.18 -55.04 31.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -48.19 -60.08 2.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.86 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.537 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -56.97 -55.01 40.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.909 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.26 -44.56 0.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 18.1 mmm -68.26 -47.63 67.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -67.14 -60.61 2.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.805 -179.907 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.563 HD13 ' HE1' ' A' ' 74' ' ' PHE . 8.3 mt -46.84 -50.8 17.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 -179.932 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -46.53 85.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -50.92 -61.36 2.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.97 -54.26 48.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.883 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.639 ' HA ' HD22 ' A' ' 37' ' ' LEU . 27.5 t80 -40.76 -57.21 1.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.84 -46.37 60.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -55.45 -28.81 56.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.899 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.64 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -106.71 6.0 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.061 179.938 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.858 ' HA ' HG22 ' A' ' 29' ' ' ILE . 31.4 t0 -104.93 54.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.3 p -64.58 -12.82 49.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -179.912 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -61.35 -18.83 60.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.767 179.905 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 50.72 25.63 9.48 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.912 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -113.89 -14.78 12.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.348 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.51 -9.39 30.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.494 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -131.26 142.62 50.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.35 . . . . 0.0 110.922 -179.865 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.858 HG22 ' HA ' ' A' ' 22' ' ' ASP . 16.0 pt -103.01 172.05 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.152 179.887 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.437 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 11.7 m -87.18 159.98 18.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.909 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.699 ' CE1' HD23 ' A' ' 63' ' ' LEU . 1.3 m-85 -46.4 -54.49 9.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -54.92 -47.16 74.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.437 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 1.4 mm-40 -59.25 -39.74 83.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.787 HD22 HD13 ' A' ' 69' ' ' ILE . 7.7 tp -56.66 -62.58 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -48.96 -46.15 43.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -63.48 -33.5 75.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.5 tp -70.38 -33.7 71.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.838 ' CD2' HD12 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -67.22 -39.77 86.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt -84.31 -31.11 25.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.24 -28.13 61.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.108 179.802 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.65 12.23 15.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.098 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.0 t 51.08 46.07 26.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.884 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.838 HD12 ' CD2' ' A' ' 38' ' ' PHE . 6.8 mt -77.93 157.15 79.33 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.635 0.731 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' A' ' 43' ' ' LEU . 53.1 Cg_endo -69.8 -49.04 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.683 2.255 . . . . 0.0 112.305 179.886 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.471 ' N ' HD23 ' A' ' 45' ' ' LEU . 2.9 mt -49.1 140.14 12.19 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.612 0.72 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.485 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.8 Cg_endo -69.74 -168.98 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.321 179.888 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.63 -40.32 9.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.405 ' CZ ' ' HG3' ' A' ' 46' ' ' PRO . 55.3 p90 -68.36 -39.7 81.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.875 0.369 . . . . 0.0 110.897 -179.783 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.485 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -53.68 -48.97 68.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.96 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.406 HG21 ' CG ' ' A' ' 38' ' ' PHE . 28.2 t -65.46 -60.73 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.35 -38.86 44.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -70.14 -54.52 12.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.861 HG21 HG23 ' A' ' 77' ' ' ILE . 26.7 mt -48.48 -44.02 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.173 179.942 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.626 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -67.39 -58.52 4.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.942 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.672 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -53.6 -28.35 31.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.96 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -87.69 -23.94 24.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.855 HD23 HD11 ' A' ' 63' ' ' LEU . 2.4 tp -66.58 -60.53 2.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.909 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.623 ' HB3' ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -80.62 -7.3 59.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.798 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.672 ' HB2' ' O ' ' A' ' 55' ' ' GLU . . . -46.18 -26.63 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.072 179.842 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.5 p -108.06 -53.13 2.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 -179.878 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 167.98 42.1 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.47 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.598 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -88.67 -55.07 3.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 110.841 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.855 HD11 HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -94.44 -11.38 29.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.917 -179.947 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -50.11 -23.7 2.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.873 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -50.83 -33.18 22.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -150.14 -39.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.76 -10.96 21.08 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.52 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -93.51 -168.36 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 110.81 -179.861 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.787 HD13 HD22 ' A' ' 34' ' ' LEU . 77.7 mt -144.88 110.45 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.096 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 p -75.12 151.22 38.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -47.5 -34.17 7.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.95 -54.71 41.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.549 ' OE1' HD21 ' A' ' 57' ' ' LEU . 2.7 mm-40 -55.94 -46.66 78.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.627 ' HZ ' HD11 ' A' ' 43' ' ' LEU . 10.5 t80 -54.04 -47.77 71.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.708 HG23 ' HB ' ' A' ' 6' ' ' VAL . 31.6 mm -58.48 -57.69 9.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -49.4 -37.85 26.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.89 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.861 HG23 HG21 ' A' ' 53' ' ' ILE . 56.7 mt -71.63 -36.63 60.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.118 179.902 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.481 ' HD2' HD13 ' A' ' 43' ' ' LEU . 74.2 t80 -65.05 -35.51 81.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.473 ' HD2' HG23 ' A' ' 6' ' ' VAL . 0.2 OUTLIER -82.82 -34.28 26.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.784 -179.945 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 68.31 53.72 20.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.43 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.5 mt -139.76 125.35 19.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.849 0.357 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.868 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.846 0.355 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.23 142.76 0.27 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -179.54 170.71 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.918 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.93 166.6 13.16 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 t -95.45 101.86 13.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.393 . . . . 0.0 110.905 -179.756 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.632 ' HB ' HG23 ' A' ' 75' ' ' ILE . 0.3 OUTLIER -159.9 146.64 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.125 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.07 146.69 4.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.792 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -49.1 -54.07 17.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -48.27 -58.84 3.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.555 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -57.17 -56.62 19.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.953 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.407 ' SD ' HG12 ' A' ' 6' ' ' VAL . 11.7 tpt -37.57 -45.08 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.8 mtp -67.98 -46.52 71.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.52 -60.17 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 7.5 mt -46.59 -46.67 19.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -47.3 86.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -50.93 -58.84 5.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.98 -55.03 40.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.043 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.626 ' HA ' HD22 ' A' ' 37' ' ' LEU . 31.0 t80 -41.31 -55.99 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.56 -46.29 57.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.077 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -55.67 -28.54 56.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.669 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -107.39 5.17 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.149 179.865 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.593 ' HA ' HG22 ' A' ' 29' ' ' ILE . 33.1 t70 -112.27 44.96 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 179.887 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.2 t -83.22 6.11 20.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 -179.858 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -61.57 -16.79 51.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.3 17.27 75.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -113.47 -19.36 11.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.31 -26.45 20.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -115.28 145.56 42.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.817 0.342 . . . . 0.0 110.904 -179.807 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.593 HG22 ' HA ' ' A' ' 22' ' ' ASP . 16.8 pt -94.76 177.46 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.199 179.888 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.423 ' HB3' ' HG2' ' A' ' 33' ' ' GLU . 13.2 t -99.18 163.48 12.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.804 -179.848 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.64 ' CZ ' HG22 ' A' ' 54' ' ' THR . 1.4 m-85 -46.1 -56.66 5.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.795 -179.919 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -54.25 -47.28 72.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.423 ' HG2' ' HB3' ' A' ' 30' ' ' SER . 1.7 mm-40 -58.94 -40.57 85.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.82 HD22 HD13 ' A' ' 69' ' ' ILE . 7.7 tp -55.9 -62.95 1.35 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -48.19 -47.59 35.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.831 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -62.3 -35.37 78.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.906 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.68 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.6 tp -69.04 -35.46 76.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.753 ' CD1' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -63.26 -48.29 78.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.984 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -75.53 -33.04 60.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.7 -26.94 64.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.819 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.46 12.45 16.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 94.8 m 49.23 53.6 12.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.753 HD23 ' CD1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -85.58 162.65 47.27 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.625 0.726 . . . . 0.0 110.899 -179.919 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -49.23 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.679 2.253 . . . . 0.0 112.33 179.837 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.484 ' N ' HD23 ' A' ' 45' ' ' LEU . 1.4 mt -53.95 141.62 48.03 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.682 0.753 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.467 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.6 Cg_endo -69.8 -167.88 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.715 2.276 . . . . 0.0 112.384 179.846 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.1 -39.37 10.12 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.46 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -69.79 -41.76 74.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.896 0.379 . . . . 0.0 110.935 -179.738 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.467 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 1.5 mmt85 -52.32 -44.71 65.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.9 t -68.64 -54.09 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -42.24 67.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -68.54 -51.11 46.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.809 HG21 HG23 ' A' ' 77' ' ' ILE . 28.1 mt -48.75 -45.14 15.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.64 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -69.14 -56.04 8.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.943 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.666 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -51.7 -36.25 46.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.984 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -85.16 -21.46 29.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.794 HD13 ' OD1' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -62.73 -61.84 2.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.96 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.582 ' HB3' ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -83.21 -7.63 59.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.759 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.666 ' HB2' ' O ' ' A' ' 55' ' ' GLU . . . -46.5 -26.79 0.94 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 179.854 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.0 p -106.52 -57.56 2.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -179.914 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 172.36 43.73 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.442 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.794 ' OD1' HD13 ' A' ' 57' ' ' LEU . 75.1 m-20 -90.23 -54.06 4.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.731 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -95.34 17.33 14.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -180.0 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -58.15 -18.99 29.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 179.854 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -51.12 -32.73 23.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -171.12 -31.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.57 -7.48 22.41 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -82.89 -169.67 2.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.754 0.311 . . . . 0.0 110.852 -179.88 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.82 HD13 HD22 ' A' ' 34' ' ' LEU . 83.7 mt -148.03 107.36 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.2 155.35 26.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -47.12 -34.73 6.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -56.58 -54.41 46.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.86 -45.85 85.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.531 ' HE2' HD13 ' A' ' 14' ' ' LEU . 14.5 t80 -52.36 -52.43 53.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.632 HG23 ' HB ' ' A' ' 6' ' ' VAL . 32.5 mm -56.9 -60.11 2.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -52.34 -30.94 31.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.812 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.809 HG23 HG21 ' A' ' 53' ' ' ILE . 32.1 mt -76.37 -38.59 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.073 179.921 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -65.58 -39.14 91.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.54 -34.41 31.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.29 -59.61 2.28 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.555 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.81 129.7 36.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.754 0.311 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.854 179.846 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 mmm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.802 0.334 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -169.99 -174.2 1.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.047 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.73 158.63 43.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.849 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.18 90.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.502 ' HB2' HG21 ' A' ' 75' ' ' ILE . 31.7 p -174.69 -169.84 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.895 0.378 . . . . 0.0 110.881 -179.703 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.672 HG13 HG23 ' A' ' 75' ' ' ILE . 2.7 m -50.08 158.99 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.089 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.08 -176.3 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.811 -179.841 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -71.91 -53.8 12.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -54.62 -42.12 70.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.613 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -71.32 -64.94 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.905 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.511 ' HB2' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -37.47 -41.51 0.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.4 mmm -69.58 -49.17 56.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.04 -59.33 3.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 8.3 mt -46.86 -48.81 20.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -47.2 87.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -48.47 -60.88 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.452 ' HB3' ' CD1' ' A' ' 37' ' ' LEU . . . -56.76 -54.63 44.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.094 179.921 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.753 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 9.1 t80 -42.32 -36.23 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.19 -52.9 61.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.057 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -56.85 -21.38 28.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.557 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -108.17 4.18 9.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.099 179.915 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -93.75 75.77 4.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.5 p -57.66 -36.94 72.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.16 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.26 -26.74 68.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.2 5.38 41.28 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.471 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -114.07 22.15 14.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.25 32.22 35.8 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -127.96 142.41 51.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.955 -179.882 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.753 HG23 ' CZ ' ' A' ' 18' ' ' PHE . 48.8 pt -138.0 146.89 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.097 179.919 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.42 ' HB3' ' HG2' ' A' ' 33' ' ' GLU . 10.9 t -78.28 160.83 27.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.901 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.669 ' CZ ' HD23 ' A' ' 63' ' ' LEU . 15.3 m-85 -45.83 -53.29 9.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -55.92 -48.06 76.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.924 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.42 ' HG2' ' HB3' ' A' ' 30' ' ' SER . 2.7 mm-40 -60.02 -40.38 89.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.667 HD22 HD13 ' A' ' 69' ' ' ILE . 10.7 tp -54.95 -62.63 1.53 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -50.03 -43.94 51.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -63.12 -34.03 76.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 37' ' ' LEU . 3.6 tp -71.18 -32.25 68.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.831 ' CD2' HD12 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -68.74 -36.73 78.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.958 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -88.17 -31.61 19.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.71 -28.42 61.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.059 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.35 11.15 17.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.04 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.4 t 50.39 52.3 15.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.83 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.831 HD12 ' CD2' ' A' ' 38' ' ' PHE . 4.7 mt -80.99 156.53 72.15 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.588 0.709 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' A' ' 43' ' ' LEU . 54.4 Cg_endo -69.75 -47.57 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.64 2.226 . . . . 0.0 112.374 179.844 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.449 ' N ' HD23 ' A' ' 45' ' ' LEU . 3.0 mt -49.17 140.4 12.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.572 0.701 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.458 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.7 Cg_endo -69.85 -171.24 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.639 2.226 . . . . 0.0 112.297 179.888 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.16 -40.58 13.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -67.5 -35.7 79.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 0.0 110.907 -179.79 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.458 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -56.44 -50.17 72.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.7 t -63.03 -57.98 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -40.98 65.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -67.11 -51.91 48.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.987 HG21 HG23 ' A' ' 77' ' ' ILE . 24.2 mt -50.51 -35.49 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.115 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.462 HG21 HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -73.32 -54.96 7.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 179.983 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.58 -34.57 51.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.484 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 14.8 t-20 -84.71 -31.15 24.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.542 ' CD1' HD11 ' A' ' 77' ' ' ILE . 6.3 mt -62.65 -64.1 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.635 ' HB3' ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -64.71 -12.96 52.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.839 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 56' ' ' ASN . . . -47.75 -25.54 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.1 p -122.69 51.26 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 50.54 49.56 39.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 179.891 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.468 ' C ' HD12 ' A' ' 63' ' ' LEU . 18.6 m-20 -96.38 -53.53 3.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.814 0.34 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.759 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -97.59 -22.43 16.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 -179.951 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.05 -19.16 65.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.832 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -50.75 -36.99 39.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.944 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.52 5.21 2.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.01 15.45 49.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.501 -179.91 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -129.09 -174.07 3.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.736 0.303 . . . . 0.0 110.852 -179.862 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.667 HD13 HD22 ' A' ' 34' ' ' LEU . 41.1 mt -145.52 107.84 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.186 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.8 154.48 39.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.865 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.508 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 5.7 t80 -49.08 -36.97 19.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -52.23 -55.8 18.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.935 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.74 -46.98 67.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.934 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.631 ' HZ ' HD11 ' A' ' 43' ' ' LEU . 11.5 t80 -53.76 -51.14 64.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.896 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.672 HG23 HG13 ' A' ' 6' ' ' VAL . 48.1 mm -54.84 -55.66 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -51.69 -35.84 44.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.87 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.987 HG23 HG21 ' A' ' 53' ' ' ILE . 49.7 mt -71.88 -40.45 68.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.101 179.928 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.623 ' HD2' HD13 ' A' ' 43' ' ' LEU . 38.2 t80 -68.71 -26.94 65.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.62 -34.13 19.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.97 -58.38 1.05 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.523 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.7 pp -138.64 134.78 34.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.892 0.377 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.837 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 ptt? . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.815 0.34 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.26 108.74 4.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.148 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.7 144.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.06 170.14 41.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.49 -56.79 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.86 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.709 ' CG2' HD12 ' A' ' 75' ' ' ILE . 4.3 m -51.79 140.98 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.176 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.99 168.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.64 -49.86 66.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -49.98 -60.42 2.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.536 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -59.98 -57.88 10.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.47 -44.0 0.62 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 17.3 tpp -68.51 -49.7 57.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -65.87 -60.59 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.707 ' CD1' HG11 ' A' ' 6' ' ' VAL . 8.3 mt -46.66 -48.99 19.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -44.38 95.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -51.24 -58.03 7.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.44 -55.09 37.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.649 ' HA ' HD22 ' A' ' 37' ' ' LEU . 30.4 t80 -41.11 -56.7 2.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.85 -46.29 60.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -55.45 -28.42 54.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.679 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -108.57 6.0 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.148 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.778 ' HA ' HG22 ' A' ' 29' ' ' ILE . 25.9 t0 -106.28 48.83 0.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.829 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.6 p -81.77 7.12 13.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -61.31 -16.22 43.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.17 12.53 60.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -113.42 -18.17 12.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.14 -20.56 28.33 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -117.66 145.28 44.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 110.92 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.778 HG22 ' HA ' ' A' ' 22' ' ' ASP . 16.9 pt -94.64 177.17 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.195 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.0 m -100.32 167.0 10.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.677 ' HE1' HD23 ' A' ' 63' ' ' LEU . 1.8 m-85 -48.12 -57.99 5.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -53.06 -47.03 68.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.429 ' HB2' ' HB ' ' A' ' 29' ' ' ILE . 38.9 mt-10 -60.31 -39.54 87.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.887 HD22 HD13 ' A' ' 69' ' ' ILE . 11.0 tp -57.46 -63.54 1.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -47.96 -49.99 28.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.82 -34.82 75.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.693 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.1 tp -69.01 -36.68 78.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.747 ' CD1' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -61.59 -48.73 79.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.0 mtpt -75.5 -32.84 60.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.96 -27.04 64.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.06 11.32 16.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.7 t 51.34 55.54 9.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.747 HD23 ' CD1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -90.29 161.27 37.84 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.702 0.763 . . . . 0.0 110.891 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -49.57 0.55 Allowed 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.659 2.24 . . . . 0.0 112.363 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.473 ' N ' HD23 ' A' ' 45' ' ' LEU . 1.4 mt -52.19 140.08 33.93 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.556 0.693 . . . . 0.0 111.02 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.49 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.2 Cg_endo -69.81 -166.63 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.67 2.247 . . . . 0.0 112.347 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.14 -42.01 9.02 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -67.74 -40.74 84.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 110.918 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.49 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -51.39 -47.75 62.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.0 t -66.2 -58.47 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.59 -35.92 43.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.27 -55.34 9.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.944 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.998 HG21 HG23 ' A' ' 77' ' ' ILE . 22.4 mt -49.7 -41.05 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.214 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.534 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -68.48 -61.93 1.62 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.576 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -53.4 -27.06 22.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -87.1 -25.29 24.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.451 ' C ' ' HB2' ' A' ' 62' ' ' ASP . 0.7 OUTLIER -64.86 -62.07 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.956 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.653 ' HB3' HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -73.07 -13.86 61.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.974 179.818 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.576 ' HB2' ' O ' ' A' ' 55' ' ' GLU . . . -49.25 -25.36 2.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.5 p -109.45 -57.89 2.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.206 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 172.56 42.13 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.451 ' HB2' ' C ' ' A' ' 57' ' ' LEU . 0.8 OUTLIER -89.03 -52.89 4.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.772 0.32 . . . . 0.0 110.791 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.732 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -95.8 27.76 3.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -68.09 -10.67 55.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.822 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -26.74 68.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -178.92 -29.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.69 -12.46 22.95 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.544 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -74.78 -168.78 0.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.887 HD13 HD22 ' A' ' 34' ' ' LEU . 58.9 mt -148.34 105.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.27 155.72 25.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -45.16 -38.41 5.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -54.36 -52.32 62.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.45 -46.68 83.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.544 ' HZ ' HD21 ' A' ' 43' ' ' LEU . 8.7 t80 -52.91 -51.07 62.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.709 HD12 ' CG2' ' A' ' 6' ' ' VAL . 41.9 mm -57.59 -58.87 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.7 -27.48 28.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.998 HG23 HG21 ' A' ' 53' ' ' ILE . 32.8 mt -81.57 -36.53 14.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -68.21 -35.86 78.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -90.14 -34.4 15.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 57.98 49.49 74.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.512 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 mt -140.53 135.03 31.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.37 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.973 179.799 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.798 0.332 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.25 150.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -139.12 142.5 38.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.72 79.46 0.1 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.562 ' HB3' HG21 ' A' ' 75' ' ' ILE . 1.3 m -155.3 -169.63 3.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.943 0.401 . . . . 0.0 110.856 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.833 HG13 HG23 ' A' ' 75' ' ' ILE . 5.6 m -51.32 151.59 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.093 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.23 165.1 2.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.822 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.9 -48.45 67.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -51.13 -60.44 3.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.657 ' HG2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -61.42 -58.15 9.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -37.03 -44.06 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.843 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.1 tpp -68.88 -52.09 33.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.34 -60.75 2.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.657 HD11 ' HG2' ' A' ' 10' ' ' GLU . 14.2 mt -45.99 -50.2 15.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -47.43 82.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.4 -61.4 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.92 -55.36 27.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.06 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.723 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 12.5 t80 -41.39 -55.3 2.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.28 -46.73 55.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -55.9 -26.29 46.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.661 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -110.0 6.2 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.124 179.844 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.583 ' HA ' HG22 ' A' ' 29' ' ' ILE . 11.1 t0 -86.53 81.15 8.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -56.14 -42.41 76.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.2 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -61.56 -25.99 67.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.816 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.53 4.43 45.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -114.46 21.43 14.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.925 0.393 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.4 29.73 29.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -126.24 135.22 51.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.907 0.384 . . . . 0.0 110.958 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.723 HG23 ' CZ ' ' A' ' 18' ' ' PHE . 49.6 pt -134.59 144.45 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.165 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.2 t -78.81 166.93 21.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.585 ' CZ ' HG22 ' A' ' 54' ' ' THR . 2.4 m-85 -46.4 -58.34 3.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -53.14 -46.71 68.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.4 ' HB2' ' HB ' ' A' ' 29' ' ' ILE . 29.7 mt-10 -60.06 -39.36 85.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.933 HD22 HD13 ' A' ' 69' ' ' ILE . 14.8 tp -57.99 -61.23 2.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -48.65 -46.9 40.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.69 -33.58 75.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.695 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.4 tp -70.76 -34.56 71.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.862 ' CD2' HD12 ' A' ' 43' ' ' LEU . 0.8 OUTLIER -67.01 -39.26 87.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -83.53 -36.9 23.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.41 -30.48 70.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.85 9.87 20.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.5 m 51.47 54.36 11.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.862 HD12 ' CD2' ' A' ' 38' ' ' PHE . 2.4 mt -83.15 156.59 66.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.653 0.74 . . . . 0.0 110.816 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 43' ' ' LEU . 53.8 Cg_endo -69.8 -48.56 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.483 ' N ' HD23 ' A' ' 45' ' ' LEU . 2.7 mt -49.2 140.95 11.93 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.65 0.738 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.486 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.8 Cg_endo -69.81 -169.57 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.37 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.92 -40.76 10.2 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.541 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.41 ' CZ ' ' HG3' ' A' ' 46' ' ' PRO . 55.5 p90 -67.72 -38.86 84.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.887 0.375 . . . . 0.0 110.913 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.486 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -54.93 -51.42 66.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 42.8 t -62.1 -60.2 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -41.71 60.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -67.24 -52.12 44.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.849 HG21 HG23 ' A' ' 77' ' ' ILE . 23.6 mt -51.26 -42.9 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.585 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -67.27 -62.2 1.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.717 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -53.91 -25.66 21.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -87.42 -25.53 23.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.521 HD23 HD11 ' A' ' 63' ' ' LEU . 1.1 tp -65.76 -61.8 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.62 ' HB3' ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -75.32 -12.9 60.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.717 ' HB2' ' O ' ' A' ' 55' ' ' GLU . . . -48.75 -25.82 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.106 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.7 p -108.51 -58.18 2.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 172.83 41.93 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.557 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.427 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -88.69 -53.32 4.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.857 0.361 . . . . 0.0 110.874 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.743 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -96.05 26.83 3.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -62.71 -15.05 51.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -60.56 -31.4 70.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.1 -27.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.2 -10.87 20.04 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.465 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.48 -173.13 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 110.853 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.933 HD13 HD22 ' A' ' 34' ' ' LEU . 78.2 mt -145.99 108.33 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.214 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.58 155.21 27.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -46.19 -35.82 5.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -55.2 -55.29 32.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -54.54 -48.54 71.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.694 ' HZ ' HD11 ' A' ' 43' ' ' LEU . 9.6 t80 -51.82 -52.25 50.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.833 HG23 HG13 ' A' ' 6' ' ' VAL . 45.8 mm -56.31 -54.25 30.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.116 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.6 tttp -49.9 -37.93 33.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.849 HG23 HG21 ' A' ' 53' ' ' ILE . 84.1 mt -72.66 -37.42 55.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.133 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.582 ' HD1' HD13 ' A' ' 43' ' ' LEU . 55.2 t80 -69.14 -26.23 64.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.23 -34.72 17.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 62.23 57.35 17.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.478 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.2 mt -138.22 121.45 16.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.973 0.416 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 179.837 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 mtt . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.832 0.349 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.84 126.36 5.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -172.39 178.17 2.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.05 147.72 41.07 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.462 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.1 p -174.69 -175.98 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 110.916 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.804 ' HB ' HG23 ' A' ' 75' ' ' ILE . 1.2 p -56.29 156.02 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.11 149.99 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.02 -55.96 17.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.17 -60.14 2.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.533 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -56.15 -56.07 25.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.844 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.08 -43.89 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 30.8 ttp -68.39 -46.97 68.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -68.18 -59.97 2.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.556 HD13 ' HE2' ' A' ' 74' ' ' PHE . 8.6 mt -46.93 -47.97 21.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.52 -46.38 90.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.54 -59.53 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.407 ' HB3' ' CD1' ' A' ' 37' ' ' LEU . . . -61.33 -53.68 53.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.073 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.641 ' HA ' HD22 ' A' ' 37' ' ' LEU . 29.6 t80 -41.57 -56.01 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.01 -46.36 61.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -55.38 -27.72 49.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.663 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -108.43 5.22 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.677 ' HA ' HG22 ' A' ' 29' ' ' ILE . 25.4 t0 -107.55 46.88 0.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.8 t -82.55 7.22 15.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -60.7 -17.0 45.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.43 11.94 72.51 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -113.17 -18.27 12.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.86 0.362 . . . . 0.0 110.836 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.49 -22.42 28.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.502 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -114.45 146.04 41.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.891 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.677 HG22 ' HA ' ' A' ' 22' ' ' ASP . 21.2 pt -94.48 175.83 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.405 ' HB3' ' HG2' ' A' ' 33' ' ' GLU . 16.9 t -100.84 164.65 11.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.661 ' CZ ' HG22 ' A' ' 54' ' ' THR . 0.8 OUTLIER -45.57 -58.85 3.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -53.31 -46.82 69.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.405 ' HG2' ' HB3' ' A' ' 30' ' ' SER . 1.1 mm-40 -59.01 -40.9 86.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.81 HD22 HD13 ' A' ' 69' ' ' ILE . 6.8 tp -56.01 -62.49 1.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.957 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -48.84 -46.38 42.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.4 -33.74 76.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.4 tp -67.2 -39.16 86.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.722 ' HA ' HD23 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -63.69 -48.48 76.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -68.69 -33.32 73.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.76 -26.33 54.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.9 ' HB3' HD22 ' A' ' 43' ' ' LEU . . . -82.44 -5.41 58.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.162 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.5 t 64.27 38.52 7.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.9 HD22 ' HB3' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -69.31 159.93 81.18 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.574 0.702 . . . . 0.0 110.936 -179.883 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -32.51 18.7 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.654 2.236 . . . . 0.0 112.396 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.492 ' N ' HD23 ' A' ' 45' ' ' LEU . 2.2 mt -69.6 142.75 91.95 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.931 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.47 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.9 Cg_endo -69.75 -169.69 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.605 2.203 . . . . 0.0 112.36 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.24 -39.46 12.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.466 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -69.32 -36.94 77.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.92 0.39 . . . . 0.0 110.906 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.47 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -55.56 -54.04 48.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.538 HG21 ' CG ' ' A' ' 38' ' ' PHE . 47.9 t -62.34 -51.74 68.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.09 -44.6 75.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.83 -46.82 67.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.59 HG21 HG23 ' A' ' 77' ' ' ILE . 23.1 mt -50.95 -43.49 25.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.052 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.661 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -72.31 -58.6 3.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.701 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -51.32 -34.1 31.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -87.49 -22.25 25.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.832 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.78 HD11 HG12 ' A' ' 77' ' ' ILE . 3.4 mt -63.49 -61.45 2.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.566 ' HB3' ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -82.68 -8.17 59.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.864 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 55' ' ' GLU . . . -46.35 -27.2 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 p -105.51 -57.63 2.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 172.88 44.41 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.578 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.564 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -90.95 -55.71 3.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.804 0.335 . . . . 0.0 110.828 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.723 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -94.74 17.3 13.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.08 -18.99 28.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -52.22 -32.4 36.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -171.05 -32.76 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.5 -15.79 19.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -73.41 -172.73 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.736 0.303 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.81 HD13 HD22 ' A' ' 34' ' ' LEU . 98.3 mt -148.29 104.69 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.08 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.26 154.97 25.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.776 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -46.05 -34.23 3.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -55.57 -56.38 20.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.91 -47.08 81.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.556 ' HE2' HD13 ' A' ' 14' ' ' LEU . 10.9 t80 -52.89 -49.56 65.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.804 HG23 ' HB ' ' A' ' 6' ' ' VAL . 32.3 mm -58.15 -60.64 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -38.83 60.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.78 HG12 HD11 ' A' ' 57' ' ' LEU . 26.4 mt -65.63 -37.33 79.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.179 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.511 ' CZ ' HD12 ' A' ' 43' ' ' LEU . 19.8 t80 -66.81 -53.31 34.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.477 ' HD2' HG23 ' A' ' 6' ' ' VAL . 0.2 OUTLIER -61.34 -34.64 75.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 89.86 -60.7 3.48 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.533 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.4 mp -136.59 106.2 6.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.87 0.367 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.4 pttp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.873 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.792 0.329 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.97 118.74 23.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.041 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -151.51 -175.99 5.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.74 171.23 0.33 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.459 ' HA ' HG21 ' A' ' 75' ' ' ILE . 68.4 m -141.97 155.75 45.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.948 0.404 . . . . 0.0 110.835 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.849 HG13 HG23 ' A' ' 75' ' ' ILE . 1.4 m -119.76 153.0 22.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.087 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.31 165.28 1.49 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.62 -47.75 66.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -52.51 -60.85 2.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.654 ' HG2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -62.15 -59.39 5.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.824 -179.86 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -37.08 -44.03 0.51 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 34.8 tpp -68.97 -50.04 52.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -67.08 -61.22 2.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.654 HD11 ' HG2' ' A' ' 10' ' ' GLU . 10.4 mt -45.62 -47.68 14.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -46.68 87.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -50.52 -60.1 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.841 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.02 -55.54 33.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.646 ' HA ' HD22 ' A' ' 37' ' ' LEU . 30.1 t80 -41.13 -55.93 2.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.75 -46.85 59.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 mtmm -55.15 -28.38 52.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.674 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -107.58 5.43 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.116 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.732 ' HA ' HG22 ' A' ' 29' ' ' ILE . 27.9 t70 -109.48 46.59 0.99 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.0 t -81.94 5.37 19.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -62.34 -15.98 51.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.0 17.29 67.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -113.51 -19.45 11.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.941 0.4 . . . . 0.0 110.946 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.67 -23.28 24.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.473 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -116.02 151.45 35.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.857 0.361 . . . . 0.0 110.914 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.732 HG22 ' HA ' ' A' ' 22' ' ' ASP . 15.0 pt -104.66 152.91 6.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.1 t -72.78 164.16 27.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.781 ' CE1' HD23 ' A' ' 63' ' ' LEU . 1.1 m-85 -47.98 -58.3 4.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -51.96 -45.38 64.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -59.54 -41.09 89.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.637 HD22 HD13 ' A' ' 69' ' ' ILE . 7.8 tp -56.68 -62.83 1.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -47.66 -47.65 29.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.84 -36.91 82.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.846 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.696 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -64.6 -41.99 95.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.977 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.696 ' CE2' HD12 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -55.69 -55.19 35.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -69.6 -33.94 73.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.03 -28.93 68.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.101 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.416 ' HB3' HD23 ' A' ' 43' ' ' LEU . . . -95.78 18.71 12.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.2 t 51.73 57.23 6.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.696 HD12 ' CE2' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -81.43 152.24 69.99 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 110.894 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.511 ' HD2' HD13 ' A' ' 43' ' ' LEU . 54.1 Cg_endo -69.73 -45.49 1.59 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.342 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.492 ' N ' HD23 ' A' ' 45' ' ' LEU . 2.8 mt -60.25 146.29 84.06 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.537 0.684 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.465 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 54.0 Cg_endo -69.76 -168.48 0.28 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.69 2.26 . . . . 0.0 112.328 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.06 -40.5 11.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -68.67 -36.75 78.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.909 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.465 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -56.69 -52.1 66.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.843 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 40.9 t -62.5 -56.34 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.166 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.29 -39.4 66.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.812 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -69.78 -51.59 32.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.856 HG21 HG23 ' A' ' 77' ' ' ILE . 22.5 mt -50.23 -43.81 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.07 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.637 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -68.45 -57.76 5.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.43 -28.65 31.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.81 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -87.19 -26.02 23.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.86 HD23 HD11 ' A' ' 63' ' ' LEU . 2.6 tp -63.52 -61.17 2.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.648 ' HB3' ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -73.0 -8.66 56.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.6 -24.72 1.43 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.3 t -108.73 -17.55 13.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.196 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 126.25 20.59 1.98 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.509 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.428 ' H ' ' HA ' ' A' ' 58' ' ' MET . 2.1 m-20 -64.69 -53.9 40.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.781 0.324 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.86 HD11 HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -93.78 -5.27 48.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -51.54 -22.25 3.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -47.06 -52.5 14.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.28 -26.87 0.99 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.78 -37.46 3.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.47 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.28 -172.47 2.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.844 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.637 HD13 HD22 ' A' ' 34' ' ' LEU . 6.2 mt -139.11 117.99 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.32 154.24 29.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.475 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 4.7 t80 -45.06 -38.84 5.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.82 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -53.11 -52.87 57.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.422 ' HB3' HG23 ' A' ' 69' ' ' ILE . 2.0 mm-40 -57.39 -43.1 83.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.569 ' HE2' HD13 ' A' ' 14' ' ' LEU . 11.7 t80 -56.24 -48.91 75.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.849 HG23 HG13 ' A' ' 6' ' ' VAL . 50.8 mm -59.79 -57.08 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.84 -33.96 51.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.933 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.856 HG23 HG21 ' A' ' 53' ' ' ILE . 57.8 mt -73.55 -39.3 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.407 ' CE2' HD13 ' A' ' 43' ' ' LEU . 48.0 t80 -64.52 -39.19 93.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.99 -34.57 38.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 57.37 22.44 44.57 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.478 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.3 pp -135.72 130.66 34.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.854 0.359 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 ttp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.811 0.339 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -172.09 176.52 3.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -174.44 136.59 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.26 75.84 0.22 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.448 ' HB3' HG21 ' A' ' 75' ' ' ILE . 12.9 m -158.39 -169.44 2.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.368 . . . . 0.0 110.883 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.631 ' CG2' HD12 ' A' ' 75' ' ' ILE . 3.2 m -50.25 153.08 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.72 172.73 7.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.77 -46.11 85.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -53.31 -60.22 3.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.753 ' HG2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -64.0 -62.07 1.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.587 ' HB2' HG23 ' A' ' 6' ' ' VAL . 1.2 tpp -37.28 -42.75 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 47.2 mmm -68.28 -50.31 54.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.36 -60.22 2.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.753 HD11 ' HG2' ' A' ' 10' ' ' GLU . 12.2 mt -46.04 -47.87 16.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -47.63 85.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -50.46 -60.06 3.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.08 -54.44 46.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.714 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 11.4 t80 -41.73 -55.65 2.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.22 -46.09 54.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -56.23 -26.35 50.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.647 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -109.21 5.8 9.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.475 ' HA ' HG22 ' A' ' 29' ' ' ILE . 9.8 t0 -84.85 79.64 9.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 53.7 p -55.74 -41.96 74.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.027 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.56 -25.83 67.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.07 3.81 46.3 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -114.17 21.74 14.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.76 30.31 29.75 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.572 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -125.42 138.72 54.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 0.0 110.916 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.714 HG23 ' CZ ' ' A' ' 18' ' ' PHE . 49.7 pt -136.26 144.64 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.185 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.419 ' HB3' ' HG2' ' A' ' 33' ' ' GLU . 15.2 t -78.5 164.56 24.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.777 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.629 ' CZ ' HG22 ' A' ' 54' ' ' THR . 1.3 m-85 -45.29 -58.22 3.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.833 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -53.79 -46.88 71.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.419 ' HG2' ' HB3' ' A' ' 30' ' ' SER . 1.2 mm-40 -58.88 -40.16 83.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.767 HD22 HD13 ' A' ' 69' ' ' ILE . 9.0 tp -56.94 -63.82 1.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -47.32 -46.74 25.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.75 -37.78 87.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.713 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.4 tp -64.46 -40.71 96.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.694 ' CE1' HD12 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -57.19 -55.43 34.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.822 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -69.13 -37.55 78.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.16 -31.29 71.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.16 18.37 10.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.5 t 51.53 59.0 4.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.694 HD12 ' CE1' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -82.31 152.22 67.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.599 0.714 . . . . 0.0 110.896 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.53 ' HD2' HD13 ' A' ' 43' ' ' LEU . 53.6 Cg_endo -69.91 -46.88 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.654 2.236 . . . . 0.0 112.314 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.473 ' N ' HD23 ' A' ' 45' ' ' LEU . 3.0 mt -57.59 146.25 65.83 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.631 0.729 . . . . 0.0 110.945 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.458 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.6 Cg_endo -69.83 -168.95 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.64 2.227 . . . . 0.0 112.334 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.8 -39.95 12.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.468 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -69.11 -36.85 77.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.974 0.416 . . . . 0.0 110.924 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.47 ' HD2' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -56.17 -51.93 66.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.877 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.8 t -63.46 -56.49 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.74 -37.62 63.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -70.84 -52.97 17.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.941 HG21 HG23 ' A' ' 77' ' ' ILE . 22.8 mt -49.36 -40.3 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.629 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -72.04 -58.3 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.666 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -51.9 -33.82 38.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -87.55 -22.31 24.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.607 HD11 HG12 ' A' ' 77' ' ' ILE . 3.5 mt -63.39 -59.65 4.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.557 ' HA ' ' H ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -83.98 -8.2 59.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 179.767 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.666 ' HB2' ' O ' ' A' ' 55' ' ' GLU . . . -46.41 -26.97 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.068 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.7 p -105.14 -58.03 1.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.175 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.19 44.76 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.557 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -91.99 -54.56 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 110.842 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.733 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -97.88 17.95 16.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.22 -18.03 33.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -50.75 -30.31 13.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -177.22 -26.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.12 -9.53 20.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.43 -178.89 6.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.809 0.338 . . . . 0.0 110.866 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.767 HD13 HD22 ' A' ' 34' ' ' LEU . 75.4 mt -143.45 108.4 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.58 155.8 29.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.811 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.406 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 4.5 t80 -47.32 -38.38 12.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -52.82 -54.17 38.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.42 -44.08 80.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.543 ' HE2' HD13 ' A' ' 14' ' ' LEU . 10.6 t80 -56.52 -46.17 80.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.631 HD12 ' CG2' ' A' ' 6' ' ' VAL . 44.0 mm -59.86 -55.91 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.09 -40.13 63.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.961 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.941 HG23 HG21 ' A' ' 53' ' ' ILE . 24.7 mt -64.49 -44.33 96.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.415 ' CE1' HD13 ' A' ' 43' ' ' LEU . 60.5 t80 -62.88 -34.4 77.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.813 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.38 -35.17 63.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 60.23 55.43 30.21 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.6 mt -140.09 134.1 30.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.903 0.382 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 mtm . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.75 0.31 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.37 -173.57 3.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -102.62 -74.87 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.4 146.99 21.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -114.32 103.63 11.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.895 0.379 . . . . 0.0 110.798 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.573 ' HB ' HG23 ' A' ' 75' ' ' ILE . 0.3 OUTLIER -164.89 152.8 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.852 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.428 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.9 OUTLIER -55.06 147.45 15.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 -179.835 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.29 -52.55 26.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.876 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -49.02 -59.75 3.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.516 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -57.43 -56.59 19.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.863 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.443 ' SD ' HG12 ' A' ' 6' ' ' VAL . 10.4 tpt -38.05 -44.5 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -68.34 -47.79 66.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -67.65 -60.9 2.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.578 HD13 ' HE2' ' A' ' 74' ' ' PHE . 8.2 mt -46.29 -48.05 18.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -47.39 86.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -49.89 -58.44 5.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.26 -54.48 43.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.048 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.657 ' HA ' HD22 ' A' ' 37' ' ' LEU . 31.0 t80 -41.39 -56.61 2.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.72 -46.25 58.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -55.67 -28.91 58.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.661 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -107.6 5.61 9.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.1 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.801 ' HA ' HG22 ' A' ' 29' ' ' ILE . 25.2 t0 -106.44 49.08 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.9 t -81.89 7.47 12.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -61.16 -16.57 45.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.31 11.93 60.07 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.544 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -113.37 -18.4 12.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.88 0.372 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.01 -14.89 33.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.499 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -123.26 145.02 49.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.355 . . . . 0.0 110.937 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.801 HG22 ' HA ' ' A' ' 22' ' ' ASP . 14.9 pt -95.21 177.01 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.106 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.1 t -99.83 166.99 10.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.605 ' CZ ' HG22 ' A' ' 54' ' ' THR . 1.3 m-85 -47.21 -58.62 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -53.06 -46.01 68.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.938 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.413 ' HB2' ' HB ' ' A' ' 29' ' ' ILE . 38.4 mt-10 -59.21 -39.52 82.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.8 HD22 HD13 ' A' ' 69' ' ' ILE . 7.5 tp -57.78 -62.9 1.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -47.55 -48.27 27.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -36.6 82.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.699 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.3 tp -65.18 -42.16 93.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.669 ' CE1' HD12 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -56.27 -54.41 45.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.0 mtpt -69.53 -38.0 77.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.951 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.16 -31.12 71.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.63 18.54 11.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.2 t 50.5 58.92 4.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.669 HD12 ' CE1' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -81.3 151.75 69.76 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.612 0.72 . . . . 0.0 110.929 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.534 ' HD2' HD13 ' A' ' 43' ' ' LEU . 53.9 Cg_endo -69.74 -46.77 1.11 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.673 2.248 . . . . 0.0 112.401 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.484 ' N ' HD23 ' A' ' 45' ' ' LEU . 2.7 mt -57.29 145.37 67.29 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.654 0.74 . . . . 0.0 110.937 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.466 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.1 Cg_endo -69.85 -168.59 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.294 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.64 -42.79 9.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -66.29 -38.28 87.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.363 . . . . 0.0 110.946 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.466 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -54.91 -58.79 6.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 45.8 t -56.36 -50.86 69.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -56.88 14.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -45.61 80.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.716 HG21 HG23 ' A' ' 77' ' ' ILE . 28.4 mt -52.74 -47.9 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.101 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.605 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -67.16 -59.6 3.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.705 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -52.65 -28.6 22.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -87.25 -24.76 24.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.57 HD23 HD11 ' A' ' 63' ' ' LEU . 1.1 tp -64.28 -61.69 2.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.603 ' HB3' ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -76.36 -13.49 60.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.827 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' A' ' 55' ' ' GLU . . . -48.99 -25.13 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.2 p -108.73 -57.93 2.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 172.21 43.32 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.502 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.454 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -90.87 -53.46 4.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.812 0.339 . . . . 0.0 110.887 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.746 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -96.04 16.24 18.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -52.37 -22.33 4.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.816 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -49.74 -32.52 13.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -176.65 -29.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.46 -1.84 22.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.503 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.1 mmt-85 -83.38 -169.19 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.8 HD13 HD22 ' A' ' 34' ' ' LEU . 80.3 mt -148.59 105.27 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.05 154.16 25.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -46.12 -35.0 4.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -56.97 -53.98 51.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -57.98 -45.87 86.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.578 ' HE2' HD13 ' A' ' 14' ' ' LEU . 13.1 t80 -52.85 -51.11 62.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.573 HG23 ' HB ' ' A' ' 6' ' ' VAL . 34.1 mm -57.66 -58.21 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.54 -32.6 28.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.716 HG23 HG21 ' A' ' 53' ' ' ILE . 26.2 mt -73.31 -39.01 55.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.413 ' CE1' HD13 ' A' ' 43' ' ' LEU . 60.0 t80 -65.5 -37.71 87.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.482 ' HD2' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -80.23 -34.51 37.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.8 -56.37 2.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.542 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.04 177.63 7.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.827 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.839 0.352 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.13 -75.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? 55.56 74.34 0.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.66 99.04 1.53 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.522 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.458 ' HB2' HG21 ' A' ' 75' ' ' ILE . 4.5 p -177.45 -176.09 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.963 0.411 . . . . 0.0 110.872 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.713 ' CG2' HD12 ' A' ' 75' ' ' ILE . 3.6 m -51.15 146.1 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.1 171.88 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.813 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.98 -48.52 73.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.929 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.33 -60.16 3.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.584 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -60.87 -61.76 2.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.436 ' HB2' HG23 ' A' ' 6' ' ' VAL . 2.8 tpt -37.43 -42.37 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.99 -48.67 65.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.925 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -67.55 -59.29 3.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.647 ' CD1' HG11 ' A' ' 6' ' ' VAL . 5.6 mt -47.57 -48.36 28.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -45.94 91.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -50.24 -60.43 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.64 -55.04 40.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.635 ' HA ' HD22 ' A' ' 37' ' ' LEU . 27.5 t80 -41.14 -56.09 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.95 -46.34 61.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -55.21 -28.69 54.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.661 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -107.55 5.37 9.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.796 ' HA ' HG22 ' A' ' 29' ' ' ILE . 25.8 t0 -105.3 50.7 0.77 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.0 p -81.45 6.64 14.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -61.59 -16.51 48.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.23 12.1 57.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -113.65 -17.37 12.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 0.0 110.867 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.62 -21.01 26.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.488 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -116.21 145.0 43.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 0.0 110.883 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.796 HG22 ' HA ' ' A' ' 22' ' ' ASP . 20.9 pt -94.59 177.34 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.154 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.423 ' HB3' ' HG2' ' A' ' 33' ' ' GLU . 11.3 t -98.94 161.47 13.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.674 ' CZ ' HD23 ' A' ' 63' ' ' LEU . 9.6 m-85 -45.34 -55.23 6.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -55.17 -45.54 75.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.423 ' HG2' ' HB3' ' A' ' 30' ' ' SER . 1.4 mm-40 -61.33 -39.33 90.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.623 HD22 HD13 ' A' ' 69' ' ' ILE . 9.0 tp -57.65 -62.73 1.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -49.64 -47.54 49.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -63.18 -33.61 75.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.669 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.5 tp -68.66 -36.32 78.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.772 ' CD2' HD23 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -63.99 -53.22 53.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -66.38 -42.71 87.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.92 -20.9 65.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.46 5.64 30.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.9 t 56.16 26.38 10.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.772 HD23 ' CD2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -62.84 158.84 49.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.583 0.706 . . . . 0.0 110.929 -179.892 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.425 ' HD2' ' CE2' ' A' ' 78' ' ' PHE . 54.2 Cg_endo -69.76 -48.22 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.389 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.487 HD13 ' HD2' ' A' ' 49' ' ' ARG . 1.3 mt -49.27 139.51 13.68 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.566 0.698 . . . . 0.0 110.965 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.456 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.3 Cg_endo -69.84 -169.54 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.647 2.232 . . . . 0.0 112.311 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.8 -40.33 12.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -68.32 -36.48 79.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.846 0.355 . . . . 0.0 110.967 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.487 ' HD2' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -55.94 -49.05 74.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.913 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 37.8 t -64.66 -57.64 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.06 -42.1 65.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -65.82 -51.19 61.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.974 HG21 HG23 ' A' ' 77' ' ' ILE . 26.1 mt -50.61 -35.96 13.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.123 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.496 HG21 HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -72.78 -56.58 5.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.15 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -33.75 31.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.491 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 49.2 t30 -85.53 -30.59 23.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.655 HD11 HG12 ' A' ' 77' ' ' ILE . 6.1 mt -62.47 -64.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.622 ' HB3' ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -64.53 -12.86 48.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.813 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 56' ' ' ASN . . . -47.81 -25.45 1.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.0 p -122.79 51.11 1.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.153 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 50.7 48.95 42.31 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.449 ' C ' HD12 ' A' ' 63' ' ' LEU . 1.5 m-20 -95.55 -53.59 3.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.349 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.75 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -97.4 9.54 42.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -89.58 -14.25 35.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -50.43 -34.67 25.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.59 1.27 1.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.81 5.4 64.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.1 mmt85 -123.41 -167.62 1.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.845 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.623 HD13 HD22 ' A' ' 34' ' ' LEU . 24.4 mt -144.92 111.94 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.112 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.81 156.02 27.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.487 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 5.4 t80 -48.21 -33.93 9.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -54.8 -56.38 19.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -55.24 -43.15 74.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.516 ' HZ ' HD21 ' A' ' 43' ' ' LEU . 10.8 t80 -55.45 -51.74 65.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.888 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.713 HD12 ' CG2' ' A' ' 6' ' ' VAL . 45.0 mm -56.59 -57.51 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -50.91 -37.97 47.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.974 HG23 HG21 ' A' ' 53' ' ' ILE . 22.4 mt -65.66 -52.2 53.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.095 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.425 ' CE2' ' HD2' ' A' ' 44' ' ' PRO . 15.8 t80 -59.86 -52.12 66.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.39 -35.02 73.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 55.91 34.24 61.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.456 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.0 mt -138.01 125.17 21.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.34 . . . . 0.0 110.954 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.3 mttp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.852 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.782 0.325 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.75 163.68 31.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.068 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.73 154.04 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.72 72.47 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.492 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.462 ' HB2' HG21 ' A' ' 75' ' ' ILE . 2.3 m -134.06 -66.74 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.361 . . . . 0.0 110.866 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.795 ' HB ' HG23 ' A' ' 75' ' ' ILE . 0.4 OUTLIER -69.82 153.21 8.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.432 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.6 OUTLIER -49.26 153.93 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.851 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.82 -56.62 15.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -47.43 -60.27 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.555 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.05 -54.39 45.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.889 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.3 -45.06 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.6 mtp -67.75 -46.62 71.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.71 -60.49 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.825 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 7.8 mt -46.95 -47.31 21.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -46.43 90.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.72 -58.06 6.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.41 -55.09 39.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.719 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 11.8 t80 -41.7 -55.55 2.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.08 -46.34 53.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.035 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -56.19 -26.35 50.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.651 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -110.17 6.29 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.068 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.454 ' HA ' HG22 ' A' ' 29' ' ' ILE . 11.3 t0 -86.96 79.66 8.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 t -55.86 -41.38 74.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -62.12 -26.22 68.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.12 4.32 48.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -114.02 22.24 14.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.943 0.401 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.81 31.47 32.49 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.463 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -126.47 137.34 53.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.861 0.363 . . . . 0.0 110.937 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.719 HG23 ' CZ ' ' A' ' 18' ' ' PHE . 50.9 pt -136.32 150.84 27.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.8 t -83.28 164.85 19.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.609 ' HE1' HD23 ' A' ' 63' ' ' LEU . 1.9 m-85 -45.51 -57.41 4.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -54.02 -46.72 71.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.73 -39.0 83.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.871 HD22 HD13 ' A' ' 69' ' ' ILE . 9.9 tp -57.53 -63.69 1.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -47.79 -48.44 30.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -62.13 -36.3 81.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.849 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.675 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.5 tp -68.62 -36.39 78.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.762 ' CD1' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -61.98 -49.03 77.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt -74.55 -37.85 62.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.69 -28.39 69.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.0 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.48 10.69 16.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.075 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.0 t 51.05 54.92 10.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.827 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.762 HD23 ' CD1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -88.66 161.39 42.09 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.635 0.731 . . . . 0.0 110.916 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -49.47 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.686 2.257 . . . . 0.0 112.364 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.454 ' N ' HD23 ' A' ' 45' ' ' LEU . 1.4 mt -52.0 140.35 31.35 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.637 0.732 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.478 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.3 Cg_endo -69.79 -167.72 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.247 . . . . 0.0 112.277 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.58 -41.18 9.17 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.435 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.413 ' CZ ' ' HG3' ' A' ' 46' ' ' PRO . 54.7 p90 -67.88 -40.61 83.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.9 0.381 . . . . 0.0 110.955 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.478 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -52.92 -47.44 68.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 40.3 t -65.87 -57.2 11.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.74 -43.16 62.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.56 -53.83 41.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.982 HG21 HG23 ' A' ' 77' ' ' ILE . 29.6 mt -48.75 -41.39 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.068 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.579 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -67.83 -60.76 2.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.17 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.685 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -53.64 -26.88 24.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -86.93 -25.33 24.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.536 HD23 HD11 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -65.43 -61.93 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.619 ' HB3' ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -74.95 -13.02 60.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 179.798 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 55' ' ' GLU . . . -48.86 -25.49 1.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.4 p -108.99 -58.04 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.165 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 172.82 42.48 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.445 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -89.42 -53.36 4.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 110.816 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.74 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -95.9 29.37 2.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -68.65 -10.33 55.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.808 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -26.87 67.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.79 -28.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.95 -13.78 21.92 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.508 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 49.2 mtm180 -72.13 -169.83 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 110.842 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.871 HD13 HD22 ' A' ' 34' ' ' LEU . 86.7 mt -146.75 105.89 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.25 155.61 28.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -47.65 -34.59 8.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -57.26 -52.65 64.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -57.66 -48.07 80.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.555 ' HE1' HD13 ' A' ' 14' ' ' LEU . 10.7 t80 -52.97 -50.58 63.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.793 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.795 HG23 ' HB ' ' A' ' 6' ' ' VAL . 30.4 mm -56.26 -60.47 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -53.34 -32.21 48.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.982 HG23 HG21 ' A' ' 53' ' ' ILE . 27.5 mt -72.41 -40.95 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.135 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -64.91 -41.42 95.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.638 ' HD2' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -74.84 -34.76 62.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 55.93 44.15 87.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.515 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 mt -140.48 129.86 23.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.845 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.829 0.347 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.64 -69.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -96.19 -172.54 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.67 149.06 9.77 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.544 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.19 -57.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.922 0.392 . . . . 0.0 110.858 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.878 HG13 HG23 ' A' ' 75' ' ' ILE . 6.4 m -51.11 152.26 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.156 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 26.6 p -60.88 166.42 3.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.778 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.97 -48.72 67.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.85 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -50.96 -60.64 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.645 ' HG2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -61.28 -58.53 7.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -36.89 -44.14 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.0 mmt -68.99 -51.64 37.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.82 -60.79 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.645 HD11 ' HG2' ' A' ' 10' ' ' GLU . 12.1 mt -46.08 -48.87 17.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -42.74 95.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.98 -53.23 58.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.2 -56.93 12.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.602 ' HA ' HD22 ' A' ' 37' ' ' LEU . 29.6 t80 -41.25 -55.27 2.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.8 -46.72 59.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.058 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -55.32 -28.31 52.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.644 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -107.12 5.17 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.104 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.72 ' HA ' HG22 ' A' ' 29' ' ' ILE . 27.8 t70 -110.25 45.45 1.12 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.2 t -83.16 7.06 17.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.03 -21.5 61.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.802 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.65 12.47 84.45 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.503 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -113.61 -19.63 11.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.88 0.371 . . . . 0.0 110.856 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.45 -32.62 6.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.539 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -107.78 145.34 33.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.856 0.36 . . . . 0.0 110.945 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.72 HG22 ' HA ' ' A' ' 22' ' ' ASP . 11.4 pt -94.59 177.92 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.145 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.0 t -99.22 164.83 11.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.615 ' CZ ' HG22 ' A' ' 54' ' ' THR . 2.1 m-85 -46.09 -58.74 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -52.19 -46.5 65.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.05 -40.77 90.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.817 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.906 HD22 HD13 ' A' ' 69' ' ' ILE . 13.1 tp -56.77 -62.47 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -48.66 -48.62 39.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -60.69 -33.6 73.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.682 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.5 tp -71.22 -34.1 70.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.832 ' CD2' HD12 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -67.07 -38.05 85.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -85.49 -32.11 22.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.25 -27.51 62.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.0 12.5 15.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.059 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 94.2 m 50.32 48.93 21.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.832 HD12 ' CD2' ' A' ' 38' ' ' PHE . 7.0 mt -80.38 156.91 73.41 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.699 0.762 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 43' ' ' LEU . 52.9 Cg_endo -69.73 -48.6 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.281 . . . . 0.0 112.309 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.474 ' N ' HD23 ' A' ' 45' ' ' LEU . 3.0 mt -48.5 140.15 10.41 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.606 0.717 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.495 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 52.9 Cg_endo -69.85 -169.72 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.683 2.255 . . . . 0.0 112.229 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.97 -39.92 11.11 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -68.64 -39.14 80.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.495 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -53.5 -49.95 66.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.2 t -65.34 -60.7 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.133 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.97 -37.05 30.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -72.42 -54.65 8.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.873 HG21 HG23 ' A' ' 77' ' ' ILE . 25.0 mt -48.65 -39.11 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.615 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -72.61 -59.27 2.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.66 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -51.81 -33.58 36.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -87.74 -22.08 24.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.539 ' CD1' HD11 ' A' ' 77' ' ' ILE . 2.4 mt -62.87 -62.1 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.588 ' HB3' ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -78.69 -12.45 60.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 179.848 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.66 ' HB2' ' O ' ' A' ' 55' ' ' GLU . . . -48.44 -26.0 1.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.116 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.6 p -105.84 -58.33 1.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 171.64 43.08 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.452 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -90.3 -53.11 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.798 0.332 . . . . 0.0 110.87 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.736 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -95.89 31.73 2.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -69.7 -8.89 51.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.83 -25.43 66.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.77 -28.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.42 -10.21 22.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.404 ' C ' HG13 ' A' ' 69' ' ' ILE . 10.1 mmt180 -79.46 -168.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.733 0.301 . . . . 0.0 110.907 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.906 HD13 HD22 ' A' ' 34' ' ' LEU . 43.1 mt -146.74 113.61 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.69 156.55 22.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.802 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -45.59 -36.97 5.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -54.59 -56.34 19.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.785 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -53.91 -47.73 70.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.658 ' HZ ' HD11 ' A' ' 43' ' ' LEU . 10.0 t80 -51.55 -52.29 48.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.878 HG23 HG13 ' A' ' 6' ' ' VAL . 48.0 mm -56.48 -53.1 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.181 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -49.64 -38.26 31.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.873 HG23 HG21 ' A' ' 53' ' ' ILE . 33.6 mt -72.97 -38.05 55.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.626 ' HD2' HD13 ' A' ' 43' ' ' LEU . 53.6 t80 -69.2 -24.44 64.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.815 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.36 -34.72 15.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.27 54.26 37.02 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.7 mt -140.43 129.74 23.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.861 0.362 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.799 179.878 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 mmt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.775 0.321 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.76 -176.86 3.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.9 mtp85 -74.69 -73.74 0.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.98 177.87 15.78 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.24 -53.87 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.925 0.393 . . . . 0.0 110.888 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.72 HG11 ' CD1' ' A' ' 14' ' ' LEU . 4.3 m -53.52 144.68 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.18 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.0 176.25 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.95 -47.02 86.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -54.03 -59.44 4.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.797 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.577 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -61.66 -61.16 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.465 ' HB2' HG23 ' A' ' 6' ' ' VAL . 0.6 OUTLIER -37.87 -42.38 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.808 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.3 tpt -68.25 -47.69 67.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.42 -59.56 3.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.72 ' CD1' HG11 ' A' ' 6' ' ' VAL . 6.0 mt -47.57 -46.48 28.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.19 -46.2 89.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -50.57 -57.89 7.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.93 -54.03 50.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.644 ' HA ' HD22 ' A' ' 37' ' ' LEU . 30.2 t80 -41.01 -57.38 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.44 -45.97 56.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -55.92 -28.92 59.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.666 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -107.79 5.73 9.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.834 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.789 ' HA ' HG22 ' A' ' 29' ' ' ILE . 25.0 t0 -105.64 50.11 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.14 7.31 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -61.16 -16.71 47.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.09 11.68 59.07 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.555 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -113.38 -17.61 12.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.379 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.48 -19.01 29.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.471 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -118.55 146.15 44.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 110.919 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.789 HG22 ' HA ' ' A' ' 22' ' ' ASP . 18.2 pt -94.53 176.98 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.173 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.412 ' HB3' ' HG3' ' A' ' 33' ' ' GLU . 34.3 t -99.63 165.28 11.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.662 ' CZ ' HG22 ' A' ' 54' ' ' THR . 1.0 OUTLIER -46.64 -58.32 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -53.95 -45.7 71.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.42 ' HB2' ' HB ' ' A' ' 29' ' ' ILE . 54.4 mt-10 -59.92 -39.42 85.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.834 HD22 HD13 ' A' ' 69' ' ' ILE . 8.4 tp -57.91 -63.13 1.36 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.86 -47.78 31.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.4 -35.93 80.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.682 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.4 tp -68.31 -35.62 78.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.756 ' CD1' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -62.94 -48.73 77.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -75.51 -31.98 60.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.0 -26.25 63.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.56 12.17 17.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 89.5 m 50.0 54.06 11.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.756 HD23 ' CD1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -86.98 162.29 44.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.652 0.739 . . . . 0.0 110.904 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -49.3 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.681 2.254 . . . . 0.0 112.325 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.482 ' N ' HD23 ' A' ' 45' ' ' LEU . 1.4 mt -53.35 140.97 43.99 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.56 0.695 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.485 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.6 Cg_endo -69.78 -168.36 0.27 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.88 -40.59 10.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -68.41 -39.12 81.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.485 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -53.24 -47.83 68.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.932 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.9 t -67.06 -52.69 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.33 -45.87 69.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -66.92 -49.01 66.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.7 HG21 HG23 ' A' ' 77' ' ' ILE . 26.5 mt -50.45 -43.74 23.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.662 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -71.88 -58.51 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.667 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -51.2 -34.63 32.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -87.18 -22.12 25.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.754 HD11 HG12 ' A' ' 77' ' ' ILE . 3.5 mt -63.85 -60.01 3.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.576 ' HA ' ' H ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -83.97 -7.48 59.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 179.824 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 55' ' ' GLU . . . -46.14 -26.65 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.102 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.5 p -106.46 -57.5 2.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.04 45.76 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.481 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.576 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -92.96 -55.48 3.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.892 0.377 . . . . 0.0 110.867 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.723 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -95.72 -4.27 44.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -50.44 -23.81 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -49.83 -33.32 16.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -152.89 -39.87 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.11 -13.13 21.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.5 -167.84 1.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 0.0 110.879 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.834 HD13 HD22 ' A' ' 34' ' ' LEU . 96.5 mt -147.0 106.14 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.205 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.15 153.3 30.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.813 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.428 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 4.9 t80 -45.92 -36.3 5.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -54.4 -53.72 50.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.64 -46.53 84.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.498 ' HE1' HD13 ' A' ' 14' ' ' LEU . 14.3 t80 -51.55 -52.95 42.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.665 HD12 ' CG2' ' A' ' 6' ' ' VAL . 47.1 mm -56.83 -57.69 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -53.76 -31.0 46.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.754 HG12 HD11 ' A' ' 57' ' ' LEU . 27.7 mt -76.01 -45.56 36.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -61.79 -37.41 84.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.55 -34.88 30.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 58.05 42.46 95.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.52 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 mt -140.12 134.55 31.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.877 0.37 . . . . 0.0 110.925 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.807 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ttp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.808 0.337 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.06 144.42 21.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.071 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -108.82 -62.01 1.53 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.529 ' HA3' HG22 ' A' ' 75' ' ' ILE . . . -52.86 -26.58 26.5 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.451 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 51.57 52.57 14.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.868 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.774 HG13 HG23 ' A' ' 75' ' ' ILE . 4.1 m -50.85 152.09 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.191 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.77 164.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.85 -48.76 66.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.805 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -60.35 3.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.697 ' HG2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -61.4 -59.2 5.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -36.77 -44.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.94 -51.91 34.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -64.67 -60.89 2.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.697 HD11 ' HG2' ' A' ' 10' ' ' GLU . 13.3 mt -45.9 -49.24 15.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -44.58 91.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.61 -52.8 58.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.16 -55.37 22.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.637 ' HA ' HD22 ' A' ' 37' ' ' LEU . 29.3 t80 -41.44 -55.58 2.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.26 -46.28 62.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -55.68 -28.45 55.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.941 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.658 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -108.22 6.06 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.803 ' HA ' HG22 ' A' ' 29' ' ' ILE . 22.8 t70 -103.24 46.01 0.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.6 t -82.62 5.93 19.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.14 -15.93 49.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.821 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.23 12.13 57.33 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.511 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -113.12 -16.43 12.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.873 0.368 . . . . 0.0 110.899 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.15 -15.36 33.3 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.448 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.509 ' HD1' ' HG ' ' A' ' 70' ' ' SER . 0.0 OUTLIER -116.89 175.87 5.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.856 0.36 . . . . 0.0 110.868 -179.769 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.803 HG22 ' HA ' ' A' ' 22' ' ' ASP . 12.1 pt -129.84 136.67 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.112 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.4 t -57.78 164.6 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.635 ' CZ ' HG22 ' A' ' 54' ' ' THR . 2.1 m-85 -48.78 -58.98 3.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -50.31 -48.03 55.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.18 -43.41 78.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.422 HD22 HD13 ' A' ' 69' ' ' ILE . 9.2 tp -56.14 -60.15 3.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -48.58 -47.46 39.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -62.12 -33.92 75.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.712 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.3 tp -69.89 -34.46 73.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.843 ' CD2' HD12 ' A' ' 43' ' ' LEU . 0.8 OUTLIER -67.17 -40.08 86.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -81.87 -39.29 24.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.99 -31.04 72.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.45 9.36 21.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.063 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.0 t 52.11 53.15 12.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.983 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.843 HD12 ' CD2' ' A' ' 38' ' ' PHE . 2.8 mt -82.92 156.51 67.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.576 0.703 . . . . 0.0 110.916 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 43' ' ' LEU . 53.6 Cg_endo -69.78 -49.14 0.59 Allowed 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.727 2.284 . . . . 0.0 112.311 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.477 ' N ' HD23 ' A' ' 45' ' ' LEU . 2.9 mt -48.88 141.09 10.61 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.647 0.737 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.489 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 54.4 Cg_endo -69.67 -169.45 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.702 2.268 . . . . 0.0 112.358 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.18 -41.19 10.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -67.62 -38.42 83.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 0.0 110.911 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.489 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -53.9 -49.22 69.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 23.7 t -65.73 -59.46 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.98 -36.79 40.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -71.65 -54.85 9.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.849 HG21 HG23 ' A' ' 77' ' ' ILE . 24.9 mt -48.97 -39.29 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.185 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.635 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -72.03 -58.4 3.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.7 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -52.61 -33.03 44.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -87.62 -22.79 24.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.597 ' CD1' HD11 ' A' ' 77' ' ' ILE . 3.8 mt -64.77 -60.06 3.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.588 ' HB3' ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -83.11 -7.83 59.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.804 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 55' ' ' GLU . . . -46.31 -27.31 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.3 p -105.32 -58.66 1.86 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.96 43.48 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.451 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.555 ' C ' HD12 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -90.11 -54.01 4.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.827 0.346 . . . . 0.0 110.86 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.727 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -99.54 13.83 32.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.83 -21.78 4.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -50.78 -32.54 20.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.45 -32.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.47 4.9 17.15 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.466 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 -96.41 -175.51 3.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.796 0.332 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.587 HG23 ' HB3' ' A' ' 73' ' ' GLU . 2.9 mp -138.23 113.53 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.509 ' HG ' ' HD1' ' A' ' 28' ' ' TYR . 1.5 m -78.02 153.42 32.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -43.85 -36.33 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -57.33 -51.06 70.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.587 ' HB3' HG23 ' A' ' 69' ' ' ILE . 0.2 OUTLIER -59.13 -49.09 79.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.677 ' HZ ' HD11 ' A' ' 43' ' ' LEU . 10.7 t80 -52.15 -52.25 52.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.774 HG23 HG13 ' A' ' 6' ' ' VAL . 41.6 mm -56.42 -56.95 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.105 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -49.72 -33.84 17.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.849 HG23 HG21 ' A' ' 53' ' ' ILE . 25.9 mt -75.45 -40.74 42.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.578 ' HD1' HD13 ' A' ' 43' ' ' LEU . 53.0 t80 -64.76 -29.89 70.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -88.58 -34.69 17.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 68.48 57.41 8.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.461 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.56 107.85 20.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.2 mttt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.825 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 ttp . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.821 0.343 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.98 105.9 3.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -175.89 160.83 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.06 -172.02 38.97 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.532 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -146.8 -46.06 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.381 . . . . 0.0 110.828 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.71 HG11 ' CD1' ' A' ' 14' ' ' LEU . 5.0 m -56.56 147.57 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.13 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.93 178.01 0.88 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.883 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -49.07 79.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -52.1 -60.26 3.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.595 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -61.13 -61.61 2.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.855 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.443 ' HB2' HG23 ' A' ' 6' ' ' VAL . 1.4 tpt -37.65 -42.1 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 12.9 ttt -68.23 -47.95 66.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -68.17 -59.13 3.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.843 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.71 ' CD1' HG11 ' A' ' 6' ' ' VAL . 5.1 mt -47.82 -47.18 31.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -47.35 86.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -49.7 -59.5 3.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.22 -54.69 44.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.64 ' HA ' HD22 ' A' ' 37' ' ' LEU . 28.6 t80 -41.06 -56.54 2.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.86 -46.31 60.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -55.42 -28.61 55.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.666 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -108.12 5.78 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.9 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.805 ' HA ' HG22 ' A' ' 29' ' ' ILE . 25.4 t0 -105.29 50.82 0.77 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 t -81.82 6.82 14.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -61.02 -17.14 50.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.68 11.61 57.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -113.41 -16.74 12.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.889 0.376 . . . . 0.0 110.952 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.06 -19.24 30.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.47 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -118.4 145.68 45.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.848 0.356 . . . . 0.0 110.932 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.805 HG22 ' HA ' ' A' ' 22' ' ' ASP . 17.7 pt -94.59 176.44 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.413 ' HB2' ' HG3' ' A' ' 33' ' ' GLU . 65.4 m -98.82 164.58 12.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.652 ' CZ ' HG22 ' A' ' 54' ' ' THR . 0.8 OUTLIER -46.55 -58.03 4.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.828 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -53.78 -45.97 70.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.413 ' HG3' ' HB2' ' A' ' 30' ' ' SER . 52.6 mt-10 -59.61 -41.03 89.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.827 HD22 HD13 ' A' ' 69' ' ' ILE . 8.8 tp -56.5 -62.72 1.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.954 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.429 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 7.5 t30 -47.49 -51.09 21.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.89 -37.13 78.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.708 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.7 tp -64.5 -35.6 81.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.979 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.791 ' CD1' HD23 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -65.71 -43.7 88.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 35' ' ' ASN . 10.3 mmmm -69.79 -54.52 13.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.65 -21.99 55.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.088 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.426 ' HB3' HD22 ' A' ' 43' ' ' LEU . . . -82.87 1.64 38.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.063 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.6 t 55.87 28.8 13.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.791 HD23 ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -64.98 161.82 43.91 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.586 0.708 . . . . 0.0 110.902 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -50.6 0.45 Allowed 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.725 2.283 . . . . 0.0 112.339 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.475 ' N ' HD23 ' A' ' 45' ' ' LEU . 1.4 mt -51.44 140.55 25.2 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.573 0.702 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.487 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.5 Cg_endo -69.65 -167.89 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.716 2.278 . . . . 0.0 112.355 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.23 -39.86 10.84 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.512 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -69.54 -38.9 77.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.487 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -54.53 -47.72 72.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.802 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.428 HG21 ' CG ' ' A' ' 38' ' ' PHE . 25.2 t -67.33 -57.93 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.3 -37.37 55.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -71.75 -53.44 13.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.821 HG21 HG23 ' A' ' 77' ' ' ILE . 26.6 mt -48.41 -40.62 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.652 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -72.4 -57.67 4.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.653 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -51.84 -34.56 41.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -87.35 -21.98 25.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.685 HD11 HG12 ' A' ' 77' ' ' ILE . 3.4 mt -63.87 -60.01 3.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.569 ' HA ' ' H ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -84.03 -7.16 59.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.653 ' HB2' ' O ' ' A' ' 55' ' ' GLU . . . -46.51 -26.22 0.83 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.074 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 p -106.62 -57.61 2.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.16 45.2 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.569 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -92.37 -55.52 3.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.864 0.364 . . . . 0.0 110.845 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.724 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -95.69 -3.74 45.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.67 -23.42 2.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -50.14 -33.53 19.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.26 -39.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.21 -18.09 18.74 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.99 -168.26 2.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.768 0.318 . . . . 0.0 110.924 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.827 HD13 HD22 ' A' ' 34' ' ' LEU . 96.9 mt -147.44 105.99 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.161 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.43 153.94 29.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.79 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.427 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 4.6 t80 -46.39 -35.47 5.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -55.13 -53.14 59.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.84 -43.91 90.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.48 ' HE1' HD13 ' A' ' 14' ' ' LEU . 11.0 t80 -54.32 -51.44 64.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.662 HD12 ' CG2' ' A' ' 6' ' ' VAL . 46.6 mm -58.21 -55.96 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -53.05 -33.62 52.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.821 HG23 HG21 ' A' ' 53' ' ' ILE . 27.7 mt -73.02 -44.61 56.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.138 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -66.14 -46.41 77.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -70.52 -34.7 72.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.33 -19.7 48.42 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.555 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 mt -130.48 128.37 41.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.933 0.397 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.798 0.333 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.08 -75.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.115 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 53.69 70.36 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.87 28.08 4.47 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.414 ' HB2' HG21 ' A' ' 75' ' ' ILE . 66.4 m -89.75 -70.97 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.96 0.41 . . . . 0.0 110.895 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.672 ' HB ' HG23 ' A' ' 75' ' ' ILE . 0.3 OUTLIER -91.37 148.94 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.437 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.6 OUTLIER -51.15 153.69 1.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.873 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.71 -54.44 37.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.968 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -48.23 -60.24 2.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.518 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.95 -55.14 38.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.884 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.72 -43.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.3 mmt -68.65 -47.94 65.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.83 -60.78 2.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.869 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.57 HD13 ' HE1' ' A' ' 74' ' ' PHE . 8.2 mt -46.7 -49.26 19.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -44.03 98.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.946 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -50.5 -60.17 3.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.04 -54.26 48.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.059 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.642 ' HA ' HD22 ' A' ' 37' ' ' LEU . 28.4 t80 -41.2 -56.19 2.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.83 -46.61 60.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -55.37 -27.77 49.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.655 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -108.4 5.46 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 179.848 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.764 ' HA ' HG22 ' A' ' 29' ' ' ILE . 26.0 t0 -107.03 49.4 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.853 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.1 p -81.5 6.32 15.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -61.99 -16.03 48.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.94 14.02 60.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.451 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -113.38 -18.38 12.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.939 0.4 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.8 -19.48 30.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.426 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -118.71 144.75 46.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.928 0.394 . . . . 0.0 110.882 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.764 HG22 ' HA ' ' A' ' 22' ' ' ASP . 16.7 pt -94.51 176.21 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.149 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.425 ' HB3' ' HG2' ' A' ' 33' ' ' GLU . 12.2 t -97.29 161.83 13.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.68 ' CZ ' HD23 ' A' ' 63' ' ' LEU . 5.5 m-85 -45.39 -56.12 5.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -54.57 -45.63 73.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.958 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.425 ' HG2' ' HB3' ' A' ' 30' ' ' SER . 1.1 mm-40 -61.46 -39.16 89.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.595 HD22 HD13 ' A' ' 69' ' ' ILE . 6.7 tp -56.9 -63.34 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -49.69 -48.21 49.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -61.08 -37.82 84.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.676 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -64.31 -40.97 96.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.906 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.697 ' CE1' HD12 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -55.82 -54.69 41.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -71.2 -35.15 71.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.63 -30.11 71.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.92 20.56 7.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.06 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 t 49.5 58.62 5.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.697 HD12 ' CE1' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -79.21 148.39 70.97 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.654 0.74 . . . . 0.0 110.874 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.475 ' HD2' HD13 ' A' ' 43' ' ' LEU . 53.9 Cg_endo -69.8 -38.39 7.78 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.245 . . . . 0.0 112.362 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.491 ' N ' HD23 ' A' ' 45' ' ' LEU . 2.5 mt -60.99 144.76 90.26 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.574 0.702 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.472 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.8 Cg_endo -69.67 -169.89 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.656 2.238 . . . . 0.0 112.367 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.82 -40.81 11.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -67.84 -36.55 80.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.874 0.369 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.472 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -57.76 -53.99 52.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 70.2 t -59.42 -54.31 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.2 -48.09 74.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -62.15 -49.27 76.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.733 HG21 HG23 ' A' ' 77' ' ' ILE . 24.1 mt -51.26 -37.42 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.092 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -58.29 3.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.199 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.36 -36.53 61.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.486 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 45.7 t30 -79.66 -31.52 41.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.802 HD11 HG12 ' A' ' 77' ' ' ILE . 6.5 mt -63.02 -65.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.625 ' HB3' ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -64.06 -11.62 31.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.868 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 56' ' ' ASN . . . -48.5 -24.12 1.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.8 t -120.21 35.79 4.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.187 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.76 32.55 83.29 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' A' ' 57' ' ' LEU . 80.6 m-20 -76.71 -53.79 7.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.752 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -96.02 0.28 51.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.963 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -84.39 -16.89 41.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.804 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -49.02 -49.8 39.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.945 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.27 -14.77 8.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.82 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.97 -36.61 3.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.506 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -93.16 -166.85 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.727 0.299 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.595 HD13 HD22 ' A' ' 34' ' ' LEU . 30.1 mt -141.92 113.4 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.33 155.84 28.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -48.52 -33.56 9.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -53.84 -57.15 11.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.51 -46.38 73.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.57 ' HE1' HD13 ' A' ' 14' ' ' LEU . 10.6 t80 -53.35 -47.75 69.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.672 HG23 ' HB ' ' A' ' 6' ' ' VAL . 32.0 mm -60.52 -58.88 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.514 ' HA ' HD21 ' A' ' 81' ' ' LEU . 27.9 ttmt -49.17 -34.33 14.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.802 HG12 HD11 ' A' ' 57' ' ' LEU . 24.6 mt -71.99 -46.46 59.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.427 ' CE1' HD13 ' A' ' 43' ' ' LEU . 73.5 t80 -56.64 -40.28 75.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.94 -34.66 44.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 68.51 57.11 8.54 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.514 HD21 ' HA ' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -98.36 101.41 12.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.857 0.36 . . . . 0.0 110.95 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 179.905 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.82 0.343 . . . . 0.0 110.824 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.23 -172.84 3.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 39.2 42.53 0.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.79 85.16 0.24 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.446 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.4 p -178.28 -175.24 0.45 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.005 0.431 . . . . 0.0 110.826 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.698 HG13 HG23 ' A' ' 75' ' ' ILE . 2.9 m -50.75 147.6 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.189 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.31 173.41 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.5 -48.52 80.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -52.33 -60.51 3.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.58 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -61.41 -61.18 2.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.483 ' HB2' HG23 ' A' ' 6' ' ' VAL . 1.0 OUTLIER -37.3 -42.43 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.4 mtp -68.19 -48.68 64.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -68.31 -59.48 3.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.617 ' CD1' HG11 ' A' ' 6' ' ' VAL . 7.7 mt -46.77 -47.12 20.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -47.42 84.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.788 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -50.05 -59.49 3.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.7 -55.1 39.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.711 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 11.5 t80 -41.76 -55.37 3.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.22 -46.14 54.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 mtmm -56.15 -27.07 52.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.646 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -109.11 6.26 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.116 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.492 ' HA ' HG22 ' A' ' 29' ' ' ILE . 10.3 t0 -86.37 79.9 8.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.6 t -55.86 -41.4 74.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.195 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.87 -26.06 67.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.03 3.78 45.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.476 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -114.08 22.15 14.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.848 0.356 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.74 30.71 31.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.463 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -125.81 137.75 53.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.925 0.393 . . . . 0.0 110.892 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.711 HG23 ' CZ ' ' A' ' 18' ' ' PHE . 50.3 pt -136.54 147.57 27.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.143 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.41 ' HB3' ' HG2' ' A' ' 33' ' ' GLU . 14.2 t -80.53 163.89 23.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.614 ' CZ ' HG22 ' A' ' 54' ' ' THR . 1.3 m-85 -45.25 -57.02 4.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -54.28 -47.67 72.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.41 ' HG2' ' HB3' ' A' ' 30' ' ' SER . 1.6 mm-40 -58.43 -40.34 82.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.813 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.817 HD22 HD13 ' A' ' 69' ' ' ILE . 9.2 tp -56.9 -62.79 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -47.86 -46.62 31.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -63.92 -34.73 78.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.696 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.8 tp -68.53 -35.57 77.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.795 ' CD1' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -65.01 -53.47 45.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -64.84 -47.99 75.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.36 -20.64 64.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.497 ' HB3' HD22 ' A' ' 43' ' ' LEU . . . -85.61 3.94 38.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.3 t 57.21 28.16 14.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.795 HD23 ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -65.91 160.19 64.42 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.607 0.718 . . . . 0.0 110.925 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -49.3 0.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.74 2.293 . . . . 0.0 112.341 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.468 ' N ' HD23 ' A' ' 45' ' ' LEU . 1.4 mt -50.92 140.59 20.19 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.607 0.718 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.481 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.6 Cg_endo -69.82 -168.07 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.647 2.232 . . . . 0.0 112.372 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.68 -39.73 10.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.518 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.409 ' CZ ' ' HG3' ' A' ' 46' ' ' PRO . 55.2 p90 -69.28 -39.52 78.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.792 0.33 . . . . 0.0 110.906 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.481 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -54.06 -47.83 71.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.409 HG21 ' CG ' ' A' ' 38' ' ' PHE . 35.3 t -66.67 -56.04 15.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.172 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -39.92 63.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -69.0 -52.58 27.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.873 HG21 HG23 ' A' ' 77' ' ' ILE . 29.5 mt -49.07 -40.92 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.091 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.614 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -71.95 -57.88 3.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.651 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -51.7 -34.82 40.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.833 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -87.07 -21.69 25.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.72 HD11 HG12 ' A' ' 77' ' ' ILE . 3.4 mt -63.51 -60.05 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.556 ' HA ' ' H ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -83.8 -8.05 59.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.864 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 55' ' ' GLU . . . -46.53 -26.65 0.92 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.7 p -105.59 -58.1 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.149 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.37 45.0 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.449 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.556 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -92.15 -54.97 3.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 0.0 110.887 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.732 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -96.42 17.36 16.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.958 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -59.75 -17.77 37.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -51.32 -30.75 19.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -174.55 -29.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.28 -11.17 19.72 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.09 -175.28 4.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.768 0.318 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.817 HD13 HD22 ' A' ' 34' ' ' LEU . 89.1 mt -144.96 107.55 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.43 155.57 28.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.472 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 4.5 t80 -47.43 -39.31 15.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.86 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -52.23 -52.73 50.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.78 -47.35 82.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.513 ' HZ ' HD21 ' A' ' 43' ' ' LEU . 12.0 t80 -52.07 -50.73 60.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.698 HG23 HG13 ' A' ' 6' ' ' VAL . 48.7 mm -58.05 -59.33 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -32.91 22.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.873 HG23 HG21 ' A' ' 53' ' ' ILE . 26.2 mt -71.92 -43.47 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -65.5 -51.12 62.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.65 -34.38 76.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.23 42.05 87.66 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.559 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 mt -140.94 128.07 20.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 110.901 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mmt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.789 0.328 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -175.5 -177.9 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -97.29 -72.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.41 169.86 14.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.543 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.98 -49.22 0.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.928 0.394 . . . . 0.0 110.894 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.929 HG13 HG23 ' A' ' 75' ' ' ILE . 11.1 m -50.99 159.24 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.133 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.65 167.59 16.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.59 -48.55 66.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -52.07 -60.55 3.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.733 ' HG2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -61.09 -59.31 5.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.854 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.39 -43.91 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.2 ttt -68.72 -49.64 57.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.16 -61.02 2.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.95 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.733 HD11 ' HG2' ' A' ' 10' ' ' GLU . 12.3 mt -45.98 -47.62 16.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.966 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -45.17 89.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.789 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -50.43 -59.8 3.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.45 ' HB3' ' CD1' ' A' ' 37' ' ' LEU . . . -61.21 -54.78 39.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.497 ' HA ' HD22 ' A' ' 37' ' ' LEU . 20.7 t80 -42.1 -36.09 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.69 -53.13 59.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -21.71 24.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.621 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -108.57 3.93 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.905 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.642 ' HA ' HG22 ' A' ' 29' ' ' ILE . 32.1 t70 -113.7 46.22 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.8 p -83.06 5.81 21.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -62.2 -15.66 47.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.88 10.17 60.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.439 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -107.69 -19.4 13.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.36 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.51 -17.4 36.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.48 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -120.37 151.97 38.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.852 0.358 . . . . 0.0 110.966 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.642 HG22 ' HA ' ' A' ' 22' ' ' ASP . 12.5 pt -102.79 177.68 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.9 t -99.76 162.96 12.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.615 ' CZ ' HG22 ' A' ' 54' ' ' THR . 1.4 m-85 -44.45 -57.93 3.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -53.05 -46.78 68.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.51 -41.32 85.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.762 HD22 HD13 ' A' ' 69' ' ' ILE . 6.9 tp -55.75 -62.38 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -48.16 -45.96 34.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -62.63 -37.44 86.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.943 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.681 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.9 tp -64.66 -42.0 95.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.661 ' CE1' HD12 ' A' ' 43' ' ' LEU . 0.8 OUTLIER -56.81 -54.0 51.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.01 -35.12 74.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.77 -30.37 71.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.025 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.401 ' HB3' HD23 ' A' ' 43' ' ' LEU . . . -95.98 18.34 13.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.067 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.5 t 50.6 58.49 5.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.661 HD12 ' CE1' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -80.02 151.28 73.0 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.596 0.712 . . . . 0.0 110.878 -179.867 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.544 ' HD2' HD13 ' A' ' 43' ' ' LEU . 53.6 Cg_endo -69.75 -46.9 1.06 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.738 2.292 . . . . 0.0 112.356 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.489 ' N ' HD23 ' A' ' 45' ' ' LEU . 2.6 mt -57.03 145.52 64.59 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.624 0.725 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.47 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.8 Cg_endo -69.76 -167.89 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.71 -41.26 9.93 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.411 ' CZ ' ' HG3' ' A' ' 46' ' ' PRO . 55.1 p90 -68.21 -37.82 81.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.368 . . . . 0.0 110.945 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.47 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -57.13 -51.34 69.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.23 -55.67 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -39.17 70.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -68.23 -50.98 50.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.869 HG21 HG23 ' A' ' 77' ' ' ILE . 22.2 mt -51.74 -44.7 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.615 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -66.64 -60.53 2.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.16 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.708 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -53.74 -27.36 28.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.916 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -87.05 -25.02 24.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.496 HD23 HD11 ' A' ' 63' ' ' LEU . 1.1 tp -64.98 -61.79 1.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.624 ' HB3' HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -75.43 -13.88 60.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.807 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 55' ' ' GLU . . . -48.97 -25.39 1.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.5 p -108.55 -58.27 2.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 172.61 42.88 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.508 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.439 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -90.21 -53.33 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 110.864 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.742 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -95.73 24.59 5.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -56.85 -20.19 21.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -51.57 -32.92 30.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.03 -25.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.21 -6.93 21.26 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.445 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -75.45 -170.0 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.787 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.762 HD13 HD22 ' A' ' 34' ' ' LEU . 76.8 mt -148.87 104.81 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.105 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.4 151.43 27.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -43.87 -38.57 3.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.5 -54.29 39.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -58.14 -44.86 88.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.568 ' HE1' HD13 ' A' ' 14' ' ' LEU . 13.1 t80 -53.13 -50.82 63.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.929 HG23 HG13 ' A' ' 6' ' ' VAL . 45.4 mm -58.91 -56.48 16.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.49 -30.86 43.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.913 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.869 HG23 HG21 ' A' ' 53' ' ' ILE . 25.1 mt -74.94 -40.88 46.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.087 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.4 ' CE2' HD13 ' A' ' 43' ' ' LEU . 58.7 t80 -63.52 -40.24 96.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.62 -34.82 40.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 55.79 57.39 19.12 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.438 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.584 HD12 ' N ' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -125.11 130.89 53.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.35 . . . . 0.0 110.922 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.584 ' N ' HD12 ' A' ' 81' ' ' LEU . 20.7 mttt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tpt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.815 0.34 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' A' ' 71' ' ' PHE . . . -171.16 178.43 3.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.109 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -142.69 169.36 17.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.559 ' HA3' HG21 ' A' ' 75' ' ' ILE . . . -164.19 179.68 38.91 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.2 m -104.1 70.44 0.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.672 ' HB ' HG23 ' A' ' 75' ' ' ILE . 0.3 OUTLIER -128.78 150.05 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.167 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.415 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.6 OUTLIER -49.93 149.04 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.813 -179.858 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.17 -56.72 11.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -47.81 -58.92 3.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.572 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -55.79 -56.98 14.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.839 -179.872 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.427 ' SD ' HG12 ' A' ' 6' ' ' VAL . 11.5 tpt -37.87 -44.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -68.19 -45.54 73.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -68.9 -59.92 2.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 6.7 mt -47.11 -49.07 22.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -43.81 98.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.35 -53.19 30.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.444 ' HB3' ' CD1' ' A' ' 37' ' ' LEU . . . -67.26 -54.25 22.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.773 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 24.6 t80 -41.64 -36.57 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.46 -53.22 58.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -21.41 22.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.595 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -108.73 2.74 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.221 179.739 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.585 ' HA ' HG22 ' A' ' 29' ' ' ILE . 25.6 t0 -110.61 47.85 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 56.2 p -81.33 5.65 16.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.42 -15.78 51.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.86 16.35 61.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.467 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -113.45 -18.58 11.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.26 -22.87 24.15 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.505 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 70' ' ' SER . 1.7 p90 -114.8 149.85 36.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 0.0 110.863 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.773 HG23 ' CZ ' ' A' ' 18' ' ' PHE . 38.6 pt -98.76 177.85 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.162 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.432 ' HB3' ' HG2' ' A' ' 33' ' ' GLU . 13.2 t -100.39 161.97 13.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.677 ' CZ ' HD23 ' A' ' 63' ' ' LEU . 12.8 m-85 -47.0 -55.8 7.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -53.81 -47.25 71.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.432 ' HG2' ' HB3' ' A' ' 30' ' ' SER . 1.4 mm-40 -61.05 -39.61 90.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.583 HD22 HD13 ' A' ' 69' ' ' ILE . 7.7 tp -56.02 -61.68 2.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -50.85 -47.15 60.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -61.78 -35.92 79.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.812 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.614 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.5 tp -67.38 -36.14 80.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.679 ' CD2' HD23 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -63.07 -47.23 83.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.891 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -77.22 -31.65 55.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.29 -27.59 62.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.144 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.62 11.15 15.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.077 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.7 m 49.58 52.93 13.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.679 HD23 ' CD2' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -84.73 160.66 55.48 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.619 0.724 . . . . 0.0 110.923 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -48.47 0.72 Allowed 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.733 2.289 . . . . 0.0 112.4 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.504 HD13 ' HD2' ' A' ' 49' ' ' ARG . 1.3 mt -50.55 139.51 20.4 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.557 0.694 . . . . 0.0 110.946 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.455 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 54.7 Cg_endo -69.66 -170.28 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.736 2.29 . . . . 0.0 112.375 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.7 -40.46 12.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.422 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -67.78 -35.82 79.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.946 0.403 . . . . 0.0 110.967 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.504 ' HD2' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -56.2 -48.56 76.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.926 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.2 t -64.37 -57.7 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.127 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.21 -39.44 66.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -68.12 -51.81 41.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.99 HG21 HG23 ' A' ' 77' ' ' ILE . 24.5 mt -50.25 -35.75 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.437 HG21 HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -74.16 -54.91 6.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -33.38 25.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.842 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.501 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 52.4 t30 -86.83 -30.84 21.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.631 HD11 HG12 ' A' ' 77' ' ' ILE . 6.3 mt -62.27 -64.98 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.624 ' HB3' ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -64.43 -12.81 47.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.789 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 56' ' ' ASN . . . -48.04 -24.99 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.1 p -123.6 52.11 1.45 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 50.02 49.53 35.93 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.453 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.466 ' C ' HD12 ' A' ' 63' ' ' LEU . 1.1 m-20 -96.47 -53.32 3.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.842 0.353 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.754 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -97.82 -17.47 19.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.988 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -69.15 -19.03 64.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -50.16 -37.51 35.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.89 -4.26 3.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.79 6.24 66.64 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.528 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -128.08 -169.08 2.0 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.738 0.304 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.583 HD13 HD22 ' A' ' 34' ' ' LEU . 25.0 mt -146.09 109.02 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 28' ' ' TYR . 0.7 OUTLIER -76.37 155.92 33.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.525 ' HB3' ' HB3' ' A' ' 2' ' ' ALA . 5.4 t80 -47.56 -34.45 7.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -54.53 -54.76 36.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.17 -47.31 78.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.815 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.516 ' HE2' HD13 ' A' ' 14' ' ' LEU . 12.9 t80 -51.57 -54.58 26.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.672 HG23 ' HB ' ' A' ' 6' ' ' VAL . 44.5 mm -54.25 -60.07 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.182 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -51.31 -29.84 16.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.99 HG23 HG21 ' A' ' 53' ' ' ILE . 24.7 mt -76.92 -42.71 32.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -61.7 -37.72 85.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.517 ' HD2' HG23 ' A' ' 6' ' ' VAL . 0.2 OUTLIER -83.14 -34.62 26.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.883 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 61.5 54.14 38.36 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.7 mt -140.8 134.4 30.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 mmt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.803 0.335 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.57 -174.28 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.026 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -139.12 -171.88 3.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.06 -161.04 17.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.43 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.452 ' N ' HG21 ' A' ' 75' ' ' ILE . 88.9 p -127.98 82.85 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.922 0.391 . . . . 0.0 110.849 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.663 ' HB ' HG23 ' A' ' 75' ' ' ILE . 0.4 OUTLIER -120.73 154.87 24.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.112 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.429 ' O ' HG13 ' A' ' 6' ' ' VAL . 1.1 p -49.13 153.39 0.95 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -53.8 -56.77 14.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.63 -59.9 2.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.929 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.532 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.31 -55.29 35.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.91 -44.25 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 26.8 ttp -68.31 -49.58 59.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.83 -60.0 3.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.566 HD13 ' HE1' ' A' ' 74' ' ' PHE . 7.9 mt -46.57 -51.21 16.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -45.12 85.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -50.82 -59.52 4.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.31 -57.0 14.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.625 ' HA ' HD22 ' A' ' 37' ' ' LEU . 27.3 t80 -41.23 -55.36 2.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.13 -46.64 62.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.054 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -54.91 -28.89 54.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.684 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -106.58 4.91 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.094 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.691 ' HA ' HG22 ' A' ' 29' ' ' ILE . 30.2 t70 -109.08 46.03 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.7 t -81.38 3.82 23.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.228 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.66 -16.02 54.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.15 19.11 69.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -113.47 -19.7 11.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.73 -28.26 12.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -113.04 144.45 42.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.88 0.371 . . . . 0.0 110.909 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.691 HG22 ' HA ' ' A' ' 22' ' ' ASP . 18.5 pt -97.65 154.18 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.145 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.2 m -73.09 162.68 29.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.68 ' CZ ' HD23 ' A' ' 63' ' ' LEU . 8.7 m-85 -48.28 -56.59 7.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -51.75 -46.29 63.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.43 -41.48 97.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.998 HD22 HD13 ' A' ' 69' ' ' ILE . 9.7 tp -54.78 -61.71 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -50.76 -49.09 58.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -59.29 -35.45 73.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.684 ' HB2' HG21 ' A' ' 21' ' ' VAL . 0.7 OUTLIER -69.31 -36.03 76.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.965 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.801 ' CD1' HD12 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -62.55 -40.15 95.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.941 179.849 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -86.94 -24.14 24.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.47 -24.73 45.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.05 15.63 11.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 51.5 m 48.91 47.23 21.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.801 HD12 ' CD1' ' A' ' 38' ' ' PHE . 9.3 mt -78.24 156.45 78.97 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.576 0.703 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 43' ' ' LEU . 53.1 Cg_endo -69.85 -45.91 1.37 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.701 2.267 . . . . 0.0 112.321 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.467 ' N ' HD23 ' A' ' 45' ' ' LEU . 2.8 mt -49.24 139.44 13.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.591 0.71 . . . . 0.0 110.935 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.483 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.2 Cg_endo -69.8 -170.83 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.674 2.249 . . . . 0.0 112.281 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.8 -40.96 11.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.51 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -67.15 -36.87 82.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.88 0.372 . . . . 0.0 110.91 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.483 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -55.3 -51.34 67.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.942 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.0 t -62.11 -59.18 4.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.73 -43.36 62.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -66.37 -51.77 53.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.947 HG21 HG23 ' A' ' 77' ' ' ILE . 24.2 mt -49.67 -36.26 10.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.178 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.437 HG21 HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -72.79 -58.21 3.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.153 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -31.84 24.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.486 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 51.5 t30 -86.96 -31.45 20.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.498 ' CD1' HD11 ' A' ' 77' ' ' ILE . 6.6 mt -63.06 -64.94 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.625 ' HB3' ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -63.95 -13.05 42.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.887 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 56' ' ' ASN . . . -47.98 -25.07 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.071 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.9 p -123.82 51.69 1.51 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 50.33 49.64 37.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.449 ' C ' HD12 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -96.57 -53.57 3.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 0.0 110.828 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.75 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -97.18 -10.23 26.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.2 -21.24 54.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.781 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -49.62 -38.2 30.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.97 -14.4 5.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.797 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.79 -37.26 3.43 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.415 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.02 -168.42 1.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.748 0.308 . . . . 0.0 110.859 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.998 HD13 HD22 ' A' ' 34' ' ' LEU . 25.1 mt -137.57 114.56 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.61 157.86 31.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.81 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -49.89 -37.15 30.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -52.25 -55.8 18.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.48 -50.28 63.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.69 ' HZ ' HD11 ' A' ' 43' ' ' LEU . 6.8 t80 -51.82 -48.37 63.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.663 HG23 ' HB ' ' A' ' 6' ' ' VAL . 34.1 mm -56.32 -56.78 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -49.8 -37.41 30.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.941 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.947 HG23 HG21 ' A' ' 53' ' ' ILE . 43.4 mt -71.9 -35.47 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.606 ' HD2' HD13 ' A' ' 43' ' ' LEU . 84.7 t80 -66.79 -38.34 86.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.539 ' HD2' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -80.2 -34.33 37.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 86.67 -57.28 4.69 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.542 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.582 ' H ' HD22 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -51.69 103.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.908 0.385 . . . . 0.0 110.915 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.82 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.9 mtm . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.75 0.31 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.88 -169.54 2.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.142 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.9 tpp85 60.29 97.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.95 117.73 5.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.475 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.95 175.1 9.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.974 0.416 . . . . 0.0 110.875 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.491 ' HB ' HG23 ' A' ' 75' ' ' ILE . 0.5 OUTLIER 66.55 143.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.153 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.422 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER -61.25 151.84 30.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.8 -50.81 32.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -48.63 -60.11 2.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.518 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -58.94 -55.4 35.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.882 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.0 tpt -38.22 -44.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 12.2 ttt -68.81 -47.29 66.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.12 -61.03 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.553 HD13 ' HE1' ' A' ' 74' ' ' PHE . 8.2 mt -46.84 -48.06 21.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -43.02 99.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.85 -53.65 49.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.38 -55.18 19.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.631 ' HA ' HD22 ' A' ' 37' ' ' LEU . 29.5 t80 -41.34 -55.5 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.811 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.6 -46.46 57.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.08 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -55.3 -28.65 55.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.664 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -107.31 5.31 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.635 ' HA ' HG22 ' A' ' 29' ' ' ILE . 33.6 t70 -112.2 45.17 1.31 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.8 p -83.39 6.28 20.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.43 -17.11 52.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.12 11.17 79.06 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -107.98 -18.49 13.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.11 -27.0 20.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.522 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.41 ' HA ' ' HA ' ' A' ' 70' ' ' SER . 2.4 p90 -114.17 144.74 42.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.892 0.377 . . . . 0.0 110.935 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.635 HG22 ' HA ' ' A' ' 22' ' ' ASP . 12.6 pt -94.25 176.63 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.9 t -98.5 163.9 12.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.58 ' CE2' HD23 ' A' ' 63' ' ' LEU . 1.2 m-85 -45.74 -57.11 4.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -54.67 -45.94 73.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.424 ' HB2' ' HB ' ' A' ' 29' ' ' ILE . 34.5 mt-10 -59.84 -40.22 87.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.818 HD22 HD13 ' A' ' 69' ' ' ILE . 8.0 tp -56.19 -63.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -48.12 -47.54 34.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.77 -36.56 81.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.701 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -65.25 -41.65 94.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.689 ' CE2' HD12 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -56.2 -54.46 44.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.21 -34.56 73.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.95 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.03 -29.45 69.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.46 17.78 13.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.1 t 52.14 58.25 5.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.914 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.689 HD12 ' CE2' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -81.62 152.62 69.95 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.705 0.764 . . . . 0.0 110.891 -179.877 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.515 ' HD2' HD13 ' A' ' 43' ' ' LEU . 53.6 Cg_endo -69.72 -47.33 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.726 2.284 . . . . 0.0 112.363 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.488 ' N ' HD23 ' A' ' 45' ' ' LEU . 2.9 mt -57.39 146.37 63.58 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.62 0.724 . . . . 0.0 110.919 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.46 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.9 Cg_endo -69.79 -169.41 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.68 2.253 . . . . 0.0 112.385 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.68 -39.12 14.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.463 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -69.9 -36.63 75.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.84 0.352 . . . . 0.0 110.933 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.46 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -56.72 -52.53 64.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 42.9 t -63.47 -56.39 17.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.02 -39.8 63.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -71.12 -51.72 23.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.805 HG21 HG23 ' A' ' 77' ' ' ILE . 23.6 mt -48.28 -41.87 10.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.606 HG21 HD23 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -72.56 -57.63 4.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.617 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -51.71 -34.99 41.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -87.39 -21.57 25.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.719 HD11 HG12 ' A' ' 77' ' ' ILE . 2.9 mt -62.19 -60.0 4.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.574 ' HB3' ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -83.93 -8.68 59.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.822 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.617 ' HB2' ' O ' ' A' ' 55' ' ' GLU . . . -46.48 -26.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.0 p -105.37 -57.87 1.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 172.69 44.83 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.557 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -92.32 -55.38 3.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 0.0 110.901 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.729 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -95.89 21.19 8.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -73.61 -5.63 41.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.22 -29.47 65.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.98 -37.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.47 -26.45 10.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.35 -168.12 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 110.845 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.818 HD13 HD22 ' A' ' 34' ' ' LEU . 82.8 mt -145.67 108.49 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -80.99 156.85 25.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -47.7 -33.77 7.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -56.88 -54.91 41.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.11 -44.65 87.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.553 ' HE1' HD13 ' A' ' 14' ' ' LEU . 16.3 t80 -53.07 -52.31 58.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.491 HG23 ' HB ' ' A' ' 6' ' ' VAL . 37.6 mm -57.78 -55.74 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.087 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -53.14 -31.73 43.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.805 HG23 HG21 ' A' ' 53' ' ' ILE . 23.8 mt -75.41 -39.04 40.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.206 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.412 ' CE1' HD13 ' A' ' 43' ' ' LEU . 56.4 t80 -66.3 -34.58 78.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.04 -34.79 24.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 76.9 -60.35 3.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.513 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 mp -130.29 126.82 38.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.849 0.357 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.4 pttt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.817 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 ptm . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.829 0.347 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.19 169.81 2.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.087 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 40.2 mtt-85 -75.17 -172.22 1.63 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.825 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.96 176.29 44.4 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.94 -48.03 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 110.826 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.73 HG11 ' CD1' ' A' ' 14' ' ' LEU . 4.7 m -52.83 144.56 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.119 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.29 177.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.787 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.0 -49.53 77.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.805 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -51.8 -60.2 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.583 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -60.69 -61.27 2.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.44 ' HB2' HG23 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -37.45 -42.16 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.9 ttp -68.13 -48.85 64.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.34 -58.99 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.73 ' CD1' HG11 ' A' ' 6' ' ' VAL . 6.5 mt -47.64 -47.77 29.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -47.02 87.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.831 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.96 -56.4 10.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.98 -55.01 37.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.643 ' HA ' HD22 ' A' ' 37' ' ' LEU . 30.7 t80 -41.33 -56.62 2.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.69 -46.36 58.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.108 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -55.19 -28.7 54.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.676 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -107.94 5.28 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.885 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.785 ' HA ' HG22 ' A' ' 29' ' ' ILE . 25.7 t0 -106.27 47.02 0.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.37 7.74 13.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.082 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.72 -19.89 52.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.68 9.32 82.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.55 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -113.22 -18.21 12.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 110.908 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.33 -30.96 7.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.476 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -107.28 146.29 31.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.967 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.785 HG22 ' HA ' ' A' ' 22' ' ' ASP . 15.2 pt -94.91 177.89 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.408 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 13.8 m -99.59 165.78 11.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.819 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.647 ' CZ ' HG22 ' A' ' 54' ' ' THR . 1.4 m-85 -47.59 -56.89 6.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -53.72 -47.49 70.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.408 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 2.3 mm-40 -59.62 -39.51 84.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.803 HD22 HD13 ' A' ' 69' ' ' ILE . 11.0 tp -57.31 -63.15 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -48.02 -50.24 28.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.59 -34.8 74.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.2 tp -68.71 -36.29 78.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.96 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.76 ' CD2' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -62.24 -47.91 82.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -75.51 -34.96 60.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.54 -27.16 66.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.9 11.62 17.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.062 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 88.8 m 50.15 56.5 7.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.76 HD23 ' CD2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -89.93 161.86 37.15 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.662 0.744 . . . . 0.0 110.879 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -49.47 0.56 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.645 2.23 . . . . 0.0 112.406 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.472 ' N ' HD23 ' A' ' 45' ' ' LEU . 1.4 mt -52.05 140.45 31.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 0.0 110.965 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.489 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 54.2 Cg_endo -69.74 -168.52 0.28 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.38 -39.78 10.71 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.415 ' CZ ' ' HG3' ' A' ' 46' ' ' PRO . 55.0 p90 -69.3 -39.88 78.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.328 . . . . 0.0 110.863 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.489 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -53.82 -49.18 68.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.6 t -65.19 -59.84 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.59 -36.5 45.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -71.44 -54.5 10.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.909 HG21 HG23 ' A' ' 77' ' ' ILE . 24.2 mt -48.6 -40.03 10.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.647 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -72.15 -58.35 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.166 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.654 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -51.65 -34.5 38.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -87.05 -22.11 25.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.642 HD11 HG12 ' A' ' 77' ' ' ILE . 3.4 mt -63.17 -60.17 3.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.558 ' HB3' ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -83.51 -8.34 59.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 179.862 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 55' ' ' GLU . . . -46.58 -26.67 0.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.084 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.1 p -105.49 -57.48 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.153 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 172.48 43.72 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.53 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.552 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -90.64 -55.09 3.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 110.929 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.724 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -95.31 27.31 3.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -73.69 -7.01 50.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.86 -26.16 66.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.09 -33.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.27 -18.72 20.72 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.537 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -82.09 -168.58 2.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 0.0 110.831 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.803 HD13 HD22 ' A' ' 34' ' ' LEU . 27.8 mt -145.57 114.6 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.65 156.36 21.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -45.11 -36.97 3.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.814 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -54.9 -52.53 62.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.44 -45.65 88.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.53 ' HZ ' HD21 ' A' ' 43' ' ' LEU . 10.0 t80 -52.87 -52.04 58.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.666 HD12 ' CG2' ' A' ' 6' ' ' VAL . 47.6 mm -57.47 -57.57 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.081 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.36 -33.12 41.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.909 HG23 HG21 ' A' ' 53' ' ' ILE . 27.1 mt -76.25 -40.5 36.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -68.01 -38.66 82.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.576 ' HB3' HD12 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -79.55 -34.74 40.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.878 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.12 52.71 1.71 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.424 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.576 HD12 ' HB3' ' A' ' 79' ' ' HIS . 1.3 mt -140.38 177.66 7.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.898 0.38 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.796 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.7 mmt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.818 0.342 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.5 64.28 1.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.058 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.3 152.69 2.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.97 -172.95 36.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.441 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.1 m -153.71 -46.22 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.855 0.36 . . . . 0.0 110.887 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.653 ' HB ' HG23 ' A' ' 75' ' ' ILE . 0.3 OUTLIER -52.46 150.15 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.92 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.462 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.6 OUTLIER -50.63 154.18 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.884 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.17 -55.0 32.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -48.23 -60.04 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.518 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -56.84 -55.38 35.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.58 -43.84 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.4 tpt -68.78 -47.6 65.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.81 -60.48 2.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.572 HD13 ' HE1' ' A' ' 74' ' ' PHE . 7.9 mt -46.81 -48.89 20.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -44.11 97.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -51.06 -60.48 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.34 -55.08 39.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.076 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.691 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 21.3 t80 -41.7 -54.46 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.858 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.75 -46.38 59.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -55.27 -27.78 48.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.965 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.657 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -106.63 6.22 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.819 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -118.84 75.45 1.03 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.76 -6.04 59.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.166 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -63.39 -25.55 68.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.827 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.97 -0.11 79.95 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.06 22.11 15.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.389 . . . . 0.0 110.854 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.01 38.16 74.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -124.6 141.81 51.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.945 0.402 . . . . 0.0 110.864 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.691 HG23 ' CZ ' ' A' ' 18' ' ' PHE . 47.1 pt -135.09 142.63 39.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.121 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.42 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 11.8 m -75.43 164.62 26.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.624 ' CZ ' HG22 ' A' ' 54' ' ' THR . 1.6 m-85 -47.17 -56.86 5.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.811 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -54.28 -47.33 72.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.42 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 1.7 mm-40 -59.09 -39.39 82.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.821 HD22 HD13 ' A' ' 69' ' ' ILE . 10.2 tp -57.78 -63.69 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -47.55 -47.56 28.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -61.73 -37.22 83.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.695 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.1 tp -64.93 -42.22 94.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.685 ' CE1' HD12 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -55.47 -55.14 35.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.5 mttt -69.3 -36.51 77.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.97 -30.25 71.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.072 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.401 ' HB3' HD23 ' A' ' 43' ' ' LEU . . . -94.43 18.6 10.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.9 t 51.47 58.1 5.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.685 HD12 ' CE1' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -82.45 151.19 65.09 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.608 0.718 . . . . 0.0 110.943 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.5 ' HD2' HD13 ' A' ' 43' ' ' LEU . 53.2 Cg_endo -69.77 -48.04 0.8 Allowed 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.731 2.287 . . . . 0.0 112.316 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.481 ' N ' HD23 ' A' ' 45' ' ' LEU . 2.8 mt -55.04 145.84 42.03 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.62 0.724 . . . . 0.0 110.942 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.474 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.1 Cg_endo -69.8 -168.1 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.706 2.271 . . . . 0.0 112.336 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.03 -39.93 11.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.422 ' CZ ' ' HG3' ' A' ' 46' ' ' PRO . 55.2 p90 -69.37 -38.68 78.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.918 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.474 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -55.6 -50.11 70.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.851 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 90.8 t -64.24 -57.45 11.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -36.03 62.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -71.08 -53.53 14.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.915 HG21 HG23 ' A' ' 77' ' ' ILE . 21.7 mt -49.31 -39.94 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.129 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.624 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -72.01 -58.44 3.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.661 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -52.2 -33.76 42.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -87.36 -22.03 25.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.546 HD11 HG12 ' A' ' 77' ' ' ILE . 3.4 mt -63.9 -59.26 4.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.567 ' HB3' ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -84.01 -8.25 59.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.868 179.841 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.661 ' HB2' ' O ' ' A' ' 55' ' ' GLU . . . -46.7 -26.62 0.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.9 p -105.09 -57.94 1.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.198 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.13 44.56 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.476 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.561 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -92.06 -54.87 3.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.891 0.377 . . . . 0.0 110.859 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.73 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -97.95 12.59 33.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -57.32 -19.15 20.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -49.96 -31.37 12.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.87 -29.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.12 -4.5 22.18 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.421 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.65 -179.43 6.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.791 0.329 . . . . 0.0 110.852 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.821 HD13 HD22 ' A' ' 34' ' ' LEU . 73.7 mt -142.07 108.03 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.166 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.52 153.72 33.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -46.92 -34.26 5.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -56.25 -53.05 61.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -57.21 -47.7 80.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.572 ' HE1' HD13 ' A' ' 14' ' ' LEU . 7.0 t80 -52.72 -46.98 67.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.653 HG23 ' HB ' ' A' ' 6' ' ' VAL . 33.2 mm -60.32 -58.88 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -51.14 -34.09 29.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.915 HG23 HG21 ' A' ' 53' ' ' ILE . 24.1 mt -71.31 -40.74 73.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.123 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.417 ' CE2' HD13 ' A' ' 43' ' ' LEU . 57.9 t80 -63.88 -41.83 97.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.59 -34.36 60.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.29 56.56 3.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -107.35 108.64 20.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.961 179.825 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.756 0.312 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.04 153.08 49.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.083 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -134.65 -173.92 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.46 79.03 0.17 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.434 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 m -130.59 -67.13 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 110.832 -179.75 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.78 ' HB ' HG23 ' A' ' 75' ' ' ILE . 0.7 OUTLIER -51.84 156.11 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.08 179.938 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.77 148.48 4.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.82 -179.81 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.54 -53.29 39.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -48.71 -60.13 2.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.896 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.574 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -57.22 -57.11 14.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.945 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.518 ' SD ' HG12 ' A' ' 6' ' ' VAL . 12.0 tpt -38.2 -43.6 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.1 mmt -68.24 -46.29 70.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -68.38 -59.92 2.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 7.3 mt -47.54 -46.6 27.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -49.68 75.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.96 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -49.58 -60.8 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.62 -54.42 47.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.701 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 11.5 t80 -41.72 -55.77 2.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.906 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.05 -45.66 52.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -56.31 -26.72 53.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.64 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -108.61 5.7 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.183 179.788 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.635 ' HA ' HG22 ' A' ' 29' ' ' ILE . 7.8 t0 -87.98 83.12 7.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.862 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -59.53 -39.57 84.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -61.51 -25.92 67.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.67 2.47 44.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -114.05 23.0 13.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.22 28.77 43.43 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -122.84 133.51 54.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.821 0.343 . . . . 0.0 110.922 -179.796 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.701 HG23 ' CZ ' ' A' ' 18' ' ' PHE . 43.6 pt -135.76 145.28 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.097 179.88 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.3 t -77.9 165.67 23.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.595 ' CE2' HD23 ' A' ' 63' ' ' LEU . 3.3 m-85 -46.55 -56.7 5.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -53.82 -45.57 70.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.416 ' HB2' ' HB ' ' A' ' 29' ' ' ILE . 29.8 mt-10 -59.57 -38.94 82.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.557 HD22 HD13 ' A' ' 69' ' ' ILE . 7.3 tp -59.35 -60.53 3.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -48.49 -46.87 38.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -64.43 -34.36 78.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.746 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.9 tp -66.39 -37.78 86.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.717 ' HA ' HD23 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -65.61 -50.47 64.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -65.75 -36.03 82.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.17 -26.19 58.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.075 179.857 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.838 ' HB3' HD22 ' A' ' 43' ' ' LEU . . . -82.8 -8.55 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.8 m 64.82 43.22 4.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.838 HD22 ' HB3' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -73.05 158.96 86.32 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.536 0.684 . . . . 0.0 110.928 -179.918 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -26.68 27.5 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.645 2.23 . . . . 0.0 112.343 179.815 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.476 ' N ' HD23 ' A' ' 45' ' ' LEU . 2.4 mt -75.84 142.66 73.47 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.602 0.715 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.48 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 54.1 Cg_endo -69.83 -166.74 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.629 2.219 . . . . 0.0 112.346 179.853 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.69 -43.39 8.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.455 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.5 p90 -66.37 -40.65 89.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 0.0 110.886 -179.743 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.48 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -51.92 -53.43 41.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.838 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.5 HG21 ' CG ' ' A' ' 38' ' ' PHE . 48.3 t -61.17 -55.48 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.84 -55.42 17.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -55.24 -50.35 69.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.784 HG21 HG23 ' A' ' 77' ' ' ILE . 34.4 mt -50.71 -41.28 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.508 HG21 HD23 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -66.71 -63.11 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.971 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -39.35 36.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -62.64 -50.77 69.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.775 HD23 ' HB3' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -56.16 -57.54 11.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.997 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.524 ' CG ' ' HB2' ' A' ' 63' ' ' LEU . 0.9 OUTLIER -48.54 -28.76 3.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.773 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.77 -32.28 52.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.146 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.3 p -91.56 40.6 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 47.8 53.51 13.55 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.453 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.775 ' HB3' HD23 ' A' ' 57' ' ' LEU . 11.5 m-20 -109.29 -46.08 3.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.867 0.365 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.704 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -103.9 9.75 36.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.961 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -60.92 -17.17 49.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -53.18 -51.74 61.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.41 -27.88 0.41 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.18 -32.79 5.75 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.76 -170.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.731 0.301 . . . . 0.0 110.902 -179.856 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.557 HD13 HD22 ' A' ' 34' ' ' LEU . 66.4 mt -142.57 105.47 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.38 155.51 28.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.817 -179.918 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.451 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 4.4 t80 -48.55 -30.93 5.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.14 -54.07 51.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.452 ' O ' HD12 ' A' ' 77' ' ' ILE . 1.0 OUTLIER -58.94 -42.81 90.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.911 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.56 ' HE2' HD13 ' A' ' 14' ' ' LEU . 17.2 t80 -56.04 -52.29 64.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.78 HG23 ' HB ' ' A' ' 6' ' ' VAL . 38.7 mm -57.63 -60.4 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.0 tttm -53.32 -36.07 60.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.784 HG23 HG21 ' A' ' 53' ' ' ILE . 13.2 mt -69.14 -38.95 78.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.871 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.531 ' CZ ' HD12 ' A' ' 43' ' ' LEU . 33.8 t80 -65.89 -43.69 87.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.534 ' HB3' HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -71.04 -34.9 71.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.801 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.87 56.98 5.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.544 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.534 HD23 ' HB3' ' A' ' 79' ' ' HIS . 2.2 pp -135.13 131.01 36.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.942 0.401 . . . . 0.0 110.902 -179.87 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 179.855 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.26 -171.72 3.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -90.25 -50.82 5.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.864 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.47 -153.32 26.13 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.526 -179.914 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -127.98 -43.8 1.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.929 0.395 . . . . 0.0 110.887 -179.768 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.676 HG13 HG23 ' A' ' 75' ' ' ILE . 2.9 m -50.71 156.62 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.169 179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.73 172.58 13.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.819 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.35 -45.83 76.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.897 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -54.61 -60.2 3.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.687 ' HG2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -64.35 -63.11 1.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.883 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.592 ' HB2' HG23 ' A' ' 6' ' ' VAL . 4.0 tpp -37.1 -42.89 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.915 179.905 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -68.17 -49.12 62.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.51 -60.32 2.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.687 HD11 ' HG2' ' A' ' 10' ' ' GLU . 11.2 mt -45.83 -48.32 15.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.892 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -45.71 90.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -49.44 -59.32 3.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.466 ' HB3' ' CD1' ' A' ' 37' ' ' LEU . . . -60.11 -54.96 39.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.886 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.764 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 9.0 t80 -41.39 -38.0 1.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.1 -52.8 63.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.105 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -20.53 21.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.589 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -110.31 4.77 8.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.891 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -90.4 75.67 6.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.9 p -51.76 -45.39 63.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -61.44 -25.85 67.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.19 6.81 48.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -113.58 22.2 14.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.904 0.383 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.49 32.12 28.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.446 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -127.43 140.03 52.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.83 0.348 . . . . 0.0 111.002 -179.863 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.764 HG23 ' CZ ' ' A' ' 18' ' ' PHE . 49.4 pt -139.13 148.78 23.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.164 179.923 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.424 ' HB3' ' HG2' ' A' ' 33' ' ' GLU . 10.2 t -80.36 161.28 25.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.863 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.646 ' CZ ' HG22 ' A' ' 54' ' ' THR . 0.7 OUTLIER -44.85 -55.05 5.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -55.78 -47.0 77.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.424 ' HG2' ' HB3' ' A' ' 30' ' ' SER . 1.3 mm-40 -58.98 -39.92 83.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.736 HD22 HD13 ' A' ' 69' ' ' ILE . 6.0 tp -56.0 -63.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -48.11 -45.81 33.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -62.89 -37.91 88.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.812 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.687 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.6 tp -64.75 -40.64 95.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.996 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.709 ' CE2' HD12 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -56.66 -55.02 39.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.912 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -70.07 -38.99 75.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.41 -32.58 71.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 179.857 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.91 18.29 9.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 83.2 m 50.71 60.04 4.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.709 HD12 ' CE2' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -81.56 154.11 71.1 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.644 0.735 . . . . 0.0 110.871 -179.886 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.531 ' HD2' HD13 ' A' ' 43' ' ' LEU . 52.3 Cg_endo -69.83 -41.67 3.99 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.627 2.218 . . . . 0.0 112.282 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.482 ' N ' HD23 ' A' ' 45' ' ' LEU . 3.1 mt -65.38 147.06 98.85 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.59 0.71 . . . . 0.0 110.992 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.476 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.4 Cg_endo -69.79 -168.95 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.708 2.272 . . . . 0.0 112.358 179.883 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.72 -39.29 12.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.51 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.411 ' CZ ' ' HG3' ' A' ' 46' ' ' PRO . 55.5 p90 -69.88 -37.93 76.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.889 0.376 . . . . 0.0 110.941 -179.793 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.476 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -56.49 -51.85 66.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.87 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.5 t -63.45 -56.15 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -39.18 65.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -70.78 -50.86 31.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.714 HG21 HG23 ' A' ' 77' ' ' ILE . 22.7 mt -49.58 -41.98 16.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.646 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -72.28 -56.73 5.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.916 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.632 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -52.25 -35.16 49.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -86.98 -21.61 26.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.703 HD11 HG12 ' A' ' 77' ' ' ILE . 3.3 mt -64.06 -59.05 4.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.001 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.577 ' HA ' ' H ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -85.26 -6.68 59.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.781 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.632 ' HB2' ' O ' ' A' ' 55' ' ' GLU . . . -46.21 -25.72 0.66 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 179.899 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.4 p -107.24 -57.8 2.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 -179.879 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.38 46.85 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.505 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.577 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -94.68 -55.87 2.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.876 0.37 . . . . 0.0 110.856 -179.956 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.723 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -95.02 -11.23 28.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.968 -179.95 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -49.69 -24.02 2.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -50.65 -33.54 22.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -147.17 -37.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.47 -38.38 3.23 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.475 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.2 mtm180 -72.38 -169.28 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.765 0.317 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.736 HD13 HD22 ' A' ' 34' ' ' LEU . 95.2 mt -143.03 107.45 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.31 151.64 34.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.493 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 5.2 t80 -46.45 -39.34 10.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -51.62 -54.58 26.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.64 -42.57 79.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.887 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.538 ' HE2' HD13 ' A' ' 14' ' ' LEU . 10.2 t80 -56.61 -46.42 80.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.676 HG23 HG13 ' A' ' 6' ' ' VAL . 49.2 mm -61.3 -56.11 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.523 ' HD3' HD22 ' A' ' 81' ' ' LEU . 4.9 tttp -52.35 -38.5 58.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.714 HG23 HG21 ' A' ' 53' ' ' ILE . 28.0 mt -67.64 -42.57 86.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.836 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.412 ' CE2' HD13 ' A' ' 43' ' ' LEU . 62.5 t80 -63.32 -35.5 80.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.55 -35.05 60.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.819 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.39 58.28 1.02 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.508 -179.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.523 HD22 ' HD3' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -50.1 104.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.39 . . . . 0.0 110.979 -179.94 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.4 pptp? . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.918 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.845 0.355 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.2 176.65 9.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.143 179.86 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -89.51 -63.96 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.19 166.36 12.33 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.91 -59.92 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.873 -179.742 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.859 HG13 HG23 ' A' ' 75' ' ' ILE . 6.3 m -51.59 149.95 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.07 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.98 165.76 1.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.862 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.82 -47.95 67.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -51.24 -60.49 3.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.926 -179.901 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.544 ' HG2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -62.08 -58.94 5.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.888 -179.999 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.29 -43.73 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -69.1 -50.47 47.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.856 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -66.04 -60.99 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.547 HD13 ' HE1' ' A' ' 74' ' ' PHE . 12.7 mt -45.96 -48.16 16.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -46.78 89.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -50.26 -60.63 2.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.891 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.59 -55.16 38.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.646 ' HA ' HD22 ' A' ' 37' ' ' LEU . 30.0 t80 -41.57 -55.87 2.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.8 -46.38 59.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -55.34 -28.44 53.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.659 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -107.67 5.32 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.903 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.791 ' HA ' HG22 ' A' ' 29' ' ' ILE . 25.3 t0 -107.33 49.65 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.2 t -81.74 6.64 14.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.55 -16.06 44.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.39 12.33 58.26 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 -179.906 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -112.33 -18.34 12.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.8 -16.52 33.57 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.455 179.915 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 70' ' ' SER . 2.3 p90 -122.07 146.86 46.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 110.898 -179.858 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.791 HG22 ' HA ' ' A' ' 22' ' ' ASP . 13.1 pt -97.65 177.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.15 179.885 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.3 t -99.14 165.44 11.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.7 ' CE1' HD23 ' A' ' 63' ' ' LEU . 3.6 m-85 -46.65 -57.42 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -54.2 -46.18 72.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.402 ' HB2' ' HB ' ' A' ' 29' ' ' ILE . 35.2 mt-10 -59.07 -40.27 84.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.654 HD22 HD13 ' A' ' 69' ' ' ILE . 10.7 tp -57.83 -62.31 1.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.443 ' HA ' HG11 ' A' ' 50' ' ' VAL . 18.7 t30 -47.93 -46.97 32.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.81 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -63.26 -35.7 81.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.722 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.3 tp -65.44 -39.7 92.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.691 ' CE2' HD12 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -60.37 -56.8 17.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -63.02 -40.08 96.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.62 -23.37 63.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.712 ' HB3' HD23 ' A' ' 43' ' ' LEU . . . -93.32 17.96 10.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.8 t 51.2 41.83 28.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.712 HD23 ' HB3' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -72.27 150.96 92.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.576 0.703 . . . . 0.0 110.924 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.446 ' HD2' HD13 ' A' ' 43' ' ' LEU . 54.2 Cg_endo -69.72 -48.61 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.72 2.28 . . . . 0.0 112.323 179.801 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.497 ' N ' HD23 ' A' ' 45' ' ' LEU . 2.3 mt -54.35 144.36 41.92 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.613 0.721 . . . . 0.0 110.942 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.46 ' CG ' ' HG3' ' A' ' 49' ' ' ARG . 53.4 Cg_endo -69.79 -167.86 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.273 . . . . 0.0 112.34 179.839 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.68 -43.36 9.19 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.431 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -65.95 -38.62 89.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.915 0.388 . . . . 0.0 110.974 -179.836 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.467 ' HD2' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -54.28 -54.63 37.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.443 HG11 ' HA ' ' A' ' 35' ' ' ASN . 98.8 t -58.98 -53.95 40.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.147 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -51.15 63.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -59.23 -42.61 91.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.881 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.842 HG21 HG23 ' A' ' 77' ' ' ILE . 25.0 mt -59.6 -33.46 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.923 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.454 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -73.36 -63.43 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -34.42 59.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.582 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 35.3 t30 -66.84 -49.64 65.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.69 HD23 ' HB3' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -57.76 -60.04 4.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.541 ' HB2' HD22 ' A' ' 63' ' ' LEU . 1.0 OUTLIER -47.39 -27.92 1.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.838 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 56' ' ' ASN . . . -59.87 -39.62 85.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.08 179.883 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.513 HG22 ' O ' ' A' ' 57' ' ' LEU . 10.3 t -93.1 35.42 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 -179.827 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 55.1 24.85 37.04 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.69 ' HB3' HD23 ' A' ' 57' ' ' LEU . 29.4 m-20 -67.87 -44.55 76.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.721 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -100.34 21.32 13.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -69.12 -10.84 59.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 179.837 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.64 -22.05 31.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.898 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.34 -27.46 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.813 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.67 -13.52 22.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.465 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -88.14 -165.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.746 0.308 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.654 HD13 HD22 ' A' ' 34' ' ' LEU . 42.6 mt -145.42 106.34 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.411 ' HA ' ' HA ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -79.84 157.04 27.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -46.62 -34.53 5.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.823 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -56.18 -54.5 44.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -56.9 -43.95 81.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.834 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.547 ' HE1' HD13 ' A' ' 14' ' ' LEU . 13.7 t80 -55.13 -52.64 62.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.879 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.859 HG23 HG13 ' A' ' 6' ' ' VAL . 46.9 mm -56.83 -57.67 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.182 179.919 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -52.02 -33.18 37.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.857 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.842 HG23 HG21 ' A' ' 53' ' ' ILE . 27.0 mt -72.72 -42.39 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.915 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -62.34 -38.79 90.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.98 -34.57 44.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 83.04 -58.19 5.05 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.524 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 mp -139.6 130.13 25.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 0.0 110.944 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.843 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.863 0.363 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.18 -176.15 5.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.5 mtt180 -121.75 -73.69 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.883 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.29 106.75 0.7 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.435 ' HB2' HG21 ' A' ' 75' ' ' ILE . 4.9 p -178.75 -176.33 0.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.96 0.409 . . . . 0.0 110.819 -179.707 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.652 HG11 ' CD1' ' A' ' 14' ' ' LEU . 5.4 m -52.55 146.75 2.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.165 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.61 170.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.879 -179.857 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.01 -49.3 69.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -51.65 -60.53 3.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.584 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -59.98 -60.99 2.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.958 -179.961 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.433 ' HB2' HG23 ' A' ' 6' ' ' VAL . 4.7 tpt -37.36 -42.15 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 29.0 ttp -68.35 -48.91 63.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.93 -58.94 4.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.652 ' CD1' HG11 ' A' ' 6' ' ' VAL . 5.9 mt -47.97 -48.95 32.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -46.46 87.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -49.47 -58.94 4.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.29 -55.58 33.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.107 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.63 ' HA ' HD22 ' A' ' 37' ' ' LEU . 29.3 t80 -41.48 -55.49 2.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.859 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.78 -46.49 59.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.4 mtmm -54.97 -28.45 51.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.675 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -107.66 5.57 9.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.904 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.726 ' HA ' HG22 ' A' ' 29' ' ' ILE . 27.5 t0 -109.17 46.17 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.25 7.37 16.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.179 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.53 -21.26 59.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.84 11.33 85.52 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.465 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -113.64 -19.54 11.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.832 -179.87 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.26 -31.1 7.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -107.74 145.23 33.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.921 -179.786 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.726 HG22 ' HA ' ' A' ' 22' ' ' ASP . 13.1 pt -94.39 177.71 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.412 ' HB3' ' HG2' ' A' ' 33' ' ' GLU . 11.6 t -98.95 161.7 13.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 -179.893 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.703 ' CZ ' HD23 ' A' ' 63' ' ' LEU . 13.9 m-85 -45.1 -55.47 5.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 -179.897 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -54.73 -47.4 73.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.412 ' HG2' ' HB3' ' A' ' 30' ' ' SER . 1.2 mm-40 -60.21 -39.99 88.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.75 HD22 HD13 ' A' ' 69' ' ' ILE . 8.5 tp -56.63 -61.55 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -50.19 -48.26 54.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -61.96 -33.72 74.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.675 ' HB2' HG21 ' A' ' 21' ' ' VAL . 1.2 tp -68.65 -37.62 79.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.779 ' CD2' HD23 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -62.3 -52.84 62.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.887 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.9 mtpt -66.79 -42.65 85.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.21 -20.58 64.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.881 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.41 ' HB3' HD22 ' A' ' 43' ' ' LEU . . . -85.16 4.41 34.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.1 t 57.03 31.39 19.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.921 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.779 HD23 ' CD2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -69.27 159.99 80.87 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.565 0.698 . . . . 0.0 110.919 -179.914 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -48.58 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.667 2.244 . . . . 0.0 112.414 179.826 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.469 ' N ' HD23 ' A' ' 45' ' ' LEU . 1.3 mt -49.94 139.24 17.6 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.656 0.741 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.458 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.7 Cg_endo -69.7 -169.83 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.703 2.269 . . . . 0.0 112.298 179.869 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.64 -40.76 11.99 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.48 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -67.95 -36.21 79.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.905 0.383 . . . . 0.0 110.955 -179.79 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.458 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -56.49 -51.07 69.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 -179.972 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.9 t -62.95 -57.52 11.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.75 -45.84 67.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -64.31 -49.87 70.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 1.035 HG21 HG23 ' A' ' 77' ' ' ILE . 21.9 mt -49.27 -40.32 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.447 HG21 HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -71.49 -54.5 10.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.34 -34.71 24.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.511 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 1.5 m120 -85.33 -29.26 24.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.915 -179.933 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.605 HD11 HG12 ' A' ' 77' ' ' ILE . 5.9 mt -61.57 -64.51 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.626 ' HB3' ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -65.19 -13.1 57.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.802 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 56' ' ' ASN . . . -47.92 -25.29 1.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.17 179.911 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.2 p -122.2 50.11 1.5 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.205 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 51.5 49.13 46.99 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.461 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.434 ' HB2' ' HA ' ' A' ' 58' ' ' MET . 2.0 m-20 -96.14 -53.69 3.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.885 0.374 . . . . 0.0 110.838 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.745 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -97.36 13.13 30.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.936 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -91.64 -13.14 32.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -49.39 -31.51 9.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.47 -35.55 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.53 9.06 22.11 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -130.9 -165.72 1.6 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.85 0.357 . . . . 0.0 110.835 -179.839 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.75 HD13 HD22 ' A' ' 34' ' ' LEU . 26.0 mt -144.13 111.43 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.73 157.8 24.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.468 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 4.8 t80 -46.94 -35.25 6.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -53.91 -55.55 25.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.24 -45.03 80.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.555 ' HZ ' HD21 ' A' ' 43' ' ' LEU . 11.7 t80 -53.28 -53.18 54.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 -179.835 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.613 HD12 ' CG2' ' A' ' 6' ' ' VAL . 46.2 mm -55.67 -58.98 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.153 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -52.77 -29.63 28.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 179.855 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 1.035 HG23 HG21 ' A' ' 53' ' ' ILE . 22.6 mt -76.74 -45.01 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -60.24 -44.04 95.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.405 ' HD2' HG12 ' A' ' 6' ' ' VAL . 0.2 OUTLIER -78.28 -34.9 48.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 179.969 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 55.82 50.47 60.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.521 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.2 mt -140.72 128.94 22.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.891 0.377 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.808 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.695 0.283 . . . . 0.0 110.805 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.91 128.28 48.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.03 176.74 1.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.37 -175.0 0.52 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.531 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.609 ' HA ' HG21 ' A' ' 75' ' ' ILE . 77.6 p -174.76 141.44 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.93 0.395 . . . . 0.0 110.799 -179.757 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.711 ' CG2' HD12 ' A' ' 75' ' ' ILE . 2.6 m -108.46 147.48 13.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.15 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.47 165.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.19 -50.84 61.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -51.63 -60.51 3.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.521 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -58.1 -59.41 5.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 -179.963 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.61 -44.18 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.3 mmt -67.93 -47.13 69.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.859 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.75 -60.87 2.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.68 ' CD1' HG11 ' A' ' 6' ' ' VAL . 7.1 mt -46.27 -47.46 18.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.968 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.54 -43.22 90.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.91 -55.24 15.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.437 ' HB3' ' CD1' ' A' ' 37' ' ' LEU . . . -66.81 -54.14 25.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.925 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.481 ' HA ' HD22 ' A' ' 37' ' ' LEU . 20.8 t80 -42.44 -35.1 0.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.58 -52.63 60.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.48 -21.16 23.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.616 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -109.0 3.69 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.111 179.93 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.556 ' HA ' HG22 ' A' ' 29' ' ' ILE . 29.0 t70 -115.77 45.0 1.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.4 p -83.9 5.77 24.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 -179.905 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.96 -16.39 50.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.71 13.9 75.13 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 -179.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 28' ' ' TYR . 23.1 m-80 -110.55 -19.95 12.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.952 0.405 . . . . 0.0 110.921 -179.891 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.2 -22.3 31.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.473 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.401 ' CZ ' ' HB3' ' A' ' 26' ' ' ASN . 1.6 p90 -116.05 150.67 36.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.37 . . . . 0.0 110.879 -179.788 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.556 HG22 ' HA ' ' A' ' 22' ' ' ASP . 21.8 pt -101.83 177.83 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.164 179.894 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.402 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 11.8 m -99.79 164.37 12.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.877 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.567 ' CE2' HD23 ' A' ' 63' ' ' LEU . 4.0 m-85 -46.85 -56.57 6.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -54.4 -46.8 73.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.402 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 0.5 OUTLIER -59.29 -40.4 86.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.62 HD22 HD13 ' A' ' 69' ' ' ILE . 8.1 tp -56.48 -61.99 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -49.38 -44.78 45.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -64.4 -33.84 76.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.899 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.671 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.1 tp -67.7 -40.48 84.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.776 ' HA ' HD23 ' A' ' 43' ' ' LEU . 0.8 OUTLIER -62.65 -46.2 89.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.902 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -71.93 -32.06 66.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.01 -28.28 61.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.964 ' HB3' HD22 ' A' ' 43' ' ' LEU . . . -85.03 -0.85 55.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.5 m 62.78 31.75 16.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.964 HD22 ' HB3' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -61.46 160.99 21.13 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.572 0.701 . . . . 0.0 110.928 -179.906 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -47.13 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.727 2.285 . . . . 0.0 112.266 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.501 ' N ' HD23 ' A' ' 45' ' ' LEU . 1.9 mt -54.64 141.61 55.11 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.586 0.708 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.466 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 54.1 Cg_endo -69.7 -166.93 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.239 . . . . 0.0 112.419 179.833 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.26 -44.59 7.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -64.97 -39.73 93.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.825 0.345 . . . . 0.0 110.921 -179.796 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.466 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -52.98 -54.8 29.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.963 179.949 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.449 HG21 ' CB ' ' A' ' 38' ' ' PHE . 60.1 t -57.9 -56.9 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.6 -57.61 8.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -53.18 -49.85 65.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.851 HG21 HG23 ' A' ' 77' ' ' ILE . 31.6 mt -51.0 -40.79 21.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.458 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -66.29 -62.05 1.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.958 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.69 -38.02 31.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -63.99 -50.98 66.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.766 HD23 ' HB3' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -55.51 -57.02 13.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.928 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.525 ' CG ' ' HB2' ' A' ' 63' ' ' LEU . 1.2 ttm -48.97 -26.77 2.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.794 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.34 -30.58 30.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.1 p -91.84 40.37 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 48.59 53.23 17.54 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.524 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.766 ' HB3' HD23 ' A' ' 57' ' ' LEU . 11.3 m-20 -110.65 -46.1 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.874 0.369 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.704 HD12 ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -105.05 22.92 14.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.949 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -76.46 -5.83 49.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.787 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -72.84 -27.12 61.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -164.35 -35.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.45 -20.58 18.27 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.449 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -77.09 -165.33 0.55 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.83 0.347 . . . . 0.0 110.848 -179.859 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.62 HD13 HD22 ' A' ' 34' ' ' LEU . 24.2 mt -145.2 105.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.47 153.9 27.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.886 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.437 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 4.1 t80 -44.9 -36.13 3.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 -179.872 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -55.53 -54.24 46.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.425 ' O ' HD12 ' A' ' 77' ' ' ILE . 1.4 mp0 -56.83 -41.61 78.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.53 ' HE1' HD13 ' A' ' 14' ' ' LEU . 17.0 t80 -57.63 -53.17 61.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.804 -179.865 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.711 HD12 ' CG2' ' A' ' 6' ' ' VAL . 48.3 mm -55.98 -59.38 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -52.65 -33.69 48.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.851 HG23 HG21 ' A' ' 53' ' ' ILE . 20.9 mt -73.41 -43.05 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.919 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.459 ' CZ ' HD12 ' A' ' 43' ' ' LEU . 10.7 t80 -62.78 -46.71 86.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.455 ' HD2' HG12 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -72.41 -34.62 67.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 179.955 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 57.16 52.51 50.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.472 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.5 mt -140.28 129.85 24.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.349 . . . . 0.0 110.929 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.3 mttt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.881 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.6 ptt? . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.783 0.325 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 60.58 48.47 7.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.17 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.78 158.16 14.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.827 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.92 127.15 1.09 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 -179.94 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.501 ' HB2' HG21 ' A' ' 75' ' ' ILE . 49.9 m -133.84 -69.55 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.902 -179.818 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.729 ' HB ' HG23 ' A' ' 75' ' ' ILE . 0.3 OUTLIER -56.83 155.26 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.961 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.441 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER -49.51 152.52 1.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 -179.858 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.57 -56.27 18.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -47.94 -60.15 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.534 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -56.27 -55.59 31.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.912 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.26 -44.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.7 ttt -68.13 -47.72 67.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -67.49 -60.38 2.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.548 HD13 ' HE2' ' A' ' 74' ' ' PHE . 7.8 mt -46.85 -48.91 20.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.94 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -44.34 96.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.897 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -50.48 -59.95 3.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.22 -54.74 42.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.652 ' HA ' HD22 ' A' ' 37' ' ' LEU . 27.3 t80 -41.35 -56.58 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.66 -46.1 58.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.4 mtmm -55.46 -28.22 53.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.659 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -107.88 5.32 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 179.912 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.8 ' HA ' HG22 ' A' ' 29' ' ' ILE . 25.8 t0 -105.09 50.31 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 p -81.67 6.91 13.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 -179.885 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -16.44 47.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.09 11.55 58.87 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.461 -179.931 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -113.38 -17.72 12.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.949 0.404 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.56 -20.53 27.36 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.439 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -116.33 145.27 43.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 110.901 -179.815 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.8 HG22 ' HA ' ' A' ' 22' ' ' ASP . 18.5 pt -94.72 177.07 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.167 179.9 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.426 ' HB3' ' HG2' ' A' ' 33' ' ' GLU . 12.1 t -98.81 161.99 13.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.927 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.685 ' CZ ' HD23 ' A' ' 63' ' ' LEU . 7.1 m-85 -45.24 -55.71 5.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -55.08 -46.35 75.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.426 ' HG2' ' HB3' ' A' ' 30' ' ' SER . 2.1 mm-40 -60.45 -38.97 85.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.584 HD22 HD13 ' A' ' 69' ' ' ILE . 9.0 tp -57.81 -63.1 1.36 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -49.19 -47.88 45.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -62.5 -36.22 81.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.707 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.1 tp -64.71 -39.4 93.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.68 ' CE2' HD12 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -59.3 -58.67 7.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 179.934 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.5 -37.5 87.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.31 -21.53 62.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.031 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.75 ' HB3' HD23 ' A' ' 43' ' ' LEU . . . -93.86 19.63 8.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.088 179.935 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 54.8 m 50.95 38.67 20.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.75 HD23 ' HB3' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -66.93 145.93 99.0 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 110.898 -179.923 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.434 ' HD2' HD13 ' A' ' 43' ' ' LEU . 54.1 Cg_endo -69.74 -40.82 4.89 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.66 2.24 . . . . 0.0 112.372 179.822 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.532 HD13 ' HD2' ' A' ' 49' ' ' ARG . 2.1 mt -56.64 144.45 64.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.553 0.692 . . . . 0.0 110.97 179.939 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.469 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.7 Cg_endo -69.8 -169.52 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.402 179.891 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.5 -40.62 12.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.518 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -68.25 -36.3 79.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.897 0.38 . . . . 0.0 110.924 -179.845 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.532 ' HD2' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -56.38 -53.57 55.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.953 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.8 t -61.61 -57.14 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.32 -42.64 64.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.82 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -68.33 -48.54 64.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.926 HG21 HG23 ' A' ' 77' ' ' ILE . 20.1 mt -50.63 -34.68 12.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.066 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.551 HG21 HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -78.89 -48.55 14.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -58.56 -31.41 67.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.51 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 5.9 t-20 -87.78 -31.07 19.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.678 HD11 HG12 ' A' ' 77' ' ' ILE . 6.2 mt -61.51 -64.74 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.931 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.625 ' HB3' ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -65.32 -11.75 44.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.85 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 56' ' ' ASN . . . -48.92 -23.81 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.902 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.409 ' O ' HG23 ' A' ' 60' ' ' THR . 14.1 t -119.31 34.94 5.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.115 -179.88 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.02 34.13 87.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 57' ' ' LEU . 79.5 m-20 -78.8 -53.69 6.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.777 0.322 . . . . 0.0 110.779 -179.921 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.757 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -96.41 3.51 52.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.913 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.19 -14.78 42.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 179.882 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.18 -43.37 31.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.852 -179.91 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.32 -32.9 2.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.18 -4.33 28.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.452 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.12 -167.31 1.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 0.0 110.874 -179.87 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.584 HD13 HD22 ' A' ' 34' ' ' LEU . 30.6 mt -145.39 109.31 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.24 157.46 29.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.917 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -49.14 -32.52 10.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.78 -179.885 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -55.32 -56.33 21.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.26 -45.61 76.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.548 ' HE2' HD13 ' A' ' 14' ' ' LEU . 10.9 t80 -54.39 -50.04 68.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.729 HG23 ' HB ' ' A' ' 6' ' ' VAL . 34.8 mm -57.87 -59.87 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.202 179.918 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.38 -30.83 20.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.779 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.926 HG23 HG21 ' A' ' 53' ' ' ILE . 33.5 mt -72.11 -45.97 60.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.402 ' CE2' HD13 ' A' ' 43' ' ' LEU . 42.0 t80 -61.08 -39.94 91.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.738 ' HB3' HD23 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -77.13 -34.62 56.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.809 -179.954 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 59.36 57.31 20.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.458 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.738 HD23 ' HB3' ' A' ' 79' ' ' HIS . 2.7 pp -121.67 121.91 38.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.794 0.33 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.975 179.769 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.2 mmm . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.813 0.34 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.86 106.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -141.3 169.9 16.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.893 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.496 ' HA3' HG21 ' A' ' 75' ' ' ILE . . . 151.06 158.73 8.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.427 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.3 p -91.81 76.68 5.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.878 0.37 . . . . 0.0 110.796 -179.751 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.718 ' HB ' HG23 ' A' ' 75' ' ' ILE . 0.3 OUTLIER -135.53 147.03 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 179.892 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.422 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER -51.02 150.62 2.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.802 -179.775 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.14 -52.85 39.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -48.95 -60.22 2.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.817 -179.835 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.518 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -57.06 -54.95 40.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.925 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.78 -44.68 1.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.0 tpt -68.37 -46.5 69.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -68.53 -60.88 2.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.578 HD13 ' HE1' ' A' ' 74' ' ' PHE . 7.8 mt -46.75 -48.33 20.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -48.28 82.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -49.27 -58.95 4.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.29 -54.5 43.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.62 ' HA ' HD22 ' A' ' 37' ' ' LEU . 30.1 t80 -41.17 -56.71 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.921 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.81 -45.91 59.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.8 mtmt -56.12 -28.32 57.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.631 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -107.58 4.88 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 179.823 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.789 ' HA ' HG22 ' A' ' 29' ' ' ILE . 25.5 t0 -105.24 49.65 0.8 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.81 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.9 t -81.67 6.82 14.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.149 -179.908 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -61.2 -16.9 49.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.74 11.66 60.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -113.38 -17.61 12.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.857 0.361 . . . . 0.0 110.845 -179.882 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.3 -19.29 29.6 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.457 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -118.07 145.68 44.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 0.0 110.852 -179.784 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.789 HG22 ' HA ' ' A' ' 22' ' ' ASP . 18.0 pt -94.44 177.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.149 179.892 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.429 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 8.2 m -98.85 162.92 12.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.654 ' CZ ' HG22 ' A' ' 54' ' ' THR . 0.8 OUTLIER -45.89 -55.6 6.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -55.61 -46.5 77.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.429 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 1.0 OUTLIER -59.21 -39.64 83.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.737 HD22 HD13 ' A' ' 69' ' ' ILE . 5.0 tp -56.53 -62.35 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -48.87 -48.19 42.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -62.3 -34.28 76.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.871 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.738 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.7 tp -68.03 -34.53 76.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.849 ' CD2' HD12 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -65.57 -43.64 89.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.921 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -80.05 -30.99 39.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.97 -26.03 60.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.044 179.915 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.27 13.46 15.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.926 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.4 t 52.37 39.12 26.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.849 HD12 ' CD2' ' A' ' 38' ' ' PHE . 5.7 mt -72.49 158.94 86.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.622 0.725 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.516 ' HD2' ' HB3' ' A' ' 43' ' ' LEU . 54.9 Cg_endo -69.69 -51.59 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.637 2.225 . . . . 0.0 112.428 179.842 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.441 ' N ' HD23 ' A' ' 45' ' ' LEU . 1.2 mt -51.52 140.47 26.12 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.681 0.753 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.498 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 54.3 Cg_endo -69.77 -167.16 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.707 2.272 . . . . 0.0 112.391 179.825 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.52 -40.21 10.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.469 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.4 ' CZ ' ' HG3' ' A' ' 46' ' ' PRO . 55.7 p90 -69.34 -41.98 75.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.89 0.376 . . . . 0.0 110.876 -179.776 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.498 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -51.26 -45.93 62.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 -179.969 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.492 HG21 ' CG ' ' A' ' 38' ' ' PHE . 21.8 t -69.94 -57.33 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -37.97 38.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -71.69 -54.66 9.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.758 HG21 HG23 ' A' ' 77' ' ' ILE . 33.7 mt -47.93 -40.11 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.654 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -72.59 -58.42 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.943 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.677 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -51.7 -33.85 36.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.956 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -87.42 -22.8 24.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.669 HD11 HG12 ' A' ' 77' ' ' ILE . 3.6 mt -63.97 -59.55 4.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.577 ' HA ' ' H ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -84.52 -6.9 59.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.792 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.677 ' HB2' ' O ' ' A' ' 55' ' ' GLU . . . -45.87 -26.78 0.74 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.877 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.4 p -106.42 -57.96 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 -179.92 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.61 46.13 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.526 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.577 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -93.45 -55.35 3.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.836 0.351 . . . . 0.0 110.823 -179.893 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.724 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -95.51 -8.69 34.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.902 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -49.83 -23.67 2.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.856 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -51.64 -34.89 39.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.53 -37.0 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 63' ' ' LEU . . . 114.35 -38.15 3.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.481 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.6 mmt85 -75.66 -168.75 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.766 0.317 . . . . 0.0 110.917 -179.894 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.737 HD13 HD22 ' A' ' 34' ' ' LEU . 56.7 mt -141.94 113.56 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.127 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.12 155.33 26.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -47.61 -36.82 11.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.26 -54.74 35.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.955 179.926 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.86 -46.96 84.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.578 ' HE1' HD13 ' A' ' 14' ' ' LEU . 14.1 t80 -52.46 -45.45 66.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.718 HG23 ' HB ' ' A' ' 6' ' ' VAL . 35.1 mm -62.54 -58.84 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -51.6 -30.58 21.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.851 179.865 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.758 HG23 HG21 ' A' ' 53' ' ' ILE . 26.8 mt -74.3 -44.59 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.9 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -61.57 -34.44 75.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.66 -34.36 25.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.56 -56.19 2.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.558 -179.951 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.7 pp -140.8 177.52 7.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.805 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 ptt? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.831 0.348 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.47 154.72 25.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -129.67 176.88 7.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.897 -179.907 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.38 107.67 0.54 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.54 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.577 ' HB2' HG21 ' A' ' 75' ' ' ILE . 61.1 m -154.36 -67.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.969 0.414 . . . . 0.0 110.85 -179.693 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.708 ' HB ' HG23 ' A' ' 75' ' ' ILE . 0.3 OUTLIER -70.17 152.2 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.129 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.449 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.5 OUTLIER -50.3 154.28 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.828 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.18 -55.04 31.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -48.19 -60.08 2.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.86 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.537 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -56.97 -55.01 40.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.909 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.26 -44.56 0.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 18.1 mmm -68.26 -47.63 67.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -67.14 -60.61 2.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.805 -179.907 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.563 HD13 ' HE1' ' A' ' 74' ' ' PHE . 8.3 mt -46.84 -50.8 17.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 -179.932 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -46.53 85.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -50.92 -61.36 2.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.97 -54.26 48.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.883 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.639 ' HA ' HD22 ' A' ' 37' ' ' LEU . 27.5 t80 -40.76 -57.21 1.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.84 -46.37 60.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -55.45 -28.81 56.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.899 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.64 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -106.71 6.0 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.061 179.938 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.858 ' HA ' HG22 ' A' ' 29' ' ' ILE . 31.4 t0 -104.93 54.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.3 p -64.58 -12.82 49.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -179.912 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -61.35 -18.83 60.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.767 179.905 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 50.72 25.63 9.48 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.912 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -113.89 -14.78 12.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.348 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.51 -9.39 30.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.494 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -131.26 142.62 50.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.35 . . . . 0.0 110.922 -179.865 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.858 HG22 ' HA ' ' A' ' 22' ' ' ASP . 16.0 pt -103.01 172.05 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.152 179.887 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.437 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 11.7 m -87.18 159.98 18.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.909 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.699 ' CE1' HD23 ' A' ' 63' ' ' LEU . 1.3 m-85 -46.4 -54.49 9.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -54.92 -47.16 74.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.437 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 1.4 mm-40 -59.25 -39.74 83.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.787 HD22 HD13 ' A' ' 69' ' ' ILE . 7.7 tp -56.66 -62.58 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -48.96 -46.15 43.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -63.48 -33.5 75.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.5 tp -70.38 -33.7 71.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.838 ' CD2' HD12 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -67.22 -39.77 86.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt -84.31 -31.11 25.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.24 -28.13 61.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.108 179.802 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.65 12.23 15.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.098 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.0 t 51.08 46.07 26.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.884 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.838 HD12 ' CD2' ' A' ' 38' ' ' PHE . 6.8 mt -77.93 157.15 79.33 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.635 0.731 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' A' ' 43' ' ' LEU . 53.1 Cg_endo -69.8 -49.04 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.683 2.255 . . . . 0.0 112.305 179.886 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.471 ' N ' HD23 ' A' ' 45' ' ' LEU . 2.9 mt -49.1 140.14 12.19 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.612 0.72 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.485 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.8 Cg_endo -69.74 -168.98 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.321 179.888 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.63 -40.32 9.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.405 ' CZ ' ' HG3' ' A' ' 46' ' ' PRO . 55.3 p90 -68.36 -39.7 81.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.875 0.369 . . . . 0.0 110.897 -179.783 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.485 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -53.68 -48.97 68.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.96 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.406 HG21 ' CG ' ' A' ' 38' ' ' PHE . 28.2 t -65.46 -60.73 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.35 -38.86 44.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -70.14 -54.52 12.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.861 HG21 HG23 ' A' ' 77' ' ' ILE . 26.7 mt -48.48 -44.02 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.173 179.942 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.626 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -67.39 -58.52 4.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.942 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.672 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -53.6 -28.35 31.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.96 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -87.69 -23.94 24.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.855 HD23 HD11 ' A' ' 63' ' ' LEU . 2.4 tp -66.58 -60.53 2.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.909 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.623 ' HB3' ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -80.62 -7.3 59.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.798 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.672 ' HB2' ' O ' ' A' ' 55' ' ' GLU . . . -46.18 -26.63 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.072 179.842 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.5 p -108.06 -53.13 2.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 -179.878 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 167.98 42.1 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.47 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.598 ' H ' ' HA ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -88.67 -55.07 3.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 110.841 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.855 HD11 HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -94.44 -11.38 29.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.917 -179.947 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -50.11 -23.7 2.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.873 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -50.83 -33.18 22.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -150.14 -39.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.76 -10.96 21.08 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.52 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -93.51 -168.36 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 110.81 -179.861 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.787 HD13 HD22 ' A' ' 34' ' ' LEU . 77.7 mt -144.88 110.45 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.096 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 p -75.12 151.22 38.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -47.5 -34.17 7.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.95 -54.71 41.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.549 ' OE1' HD21 ' A' ' 57' ' ' LEU . 2.7 mm-40 -55.94 -46.66 78.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.627 ' HZ ' HD11 ' A' ' 43' ' ' LEU . 10.5 t80 -54.04 -47.77 71.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.708 HG23 ' HB ' ' A' ' 6' ' ' VAL . 31.6 mm -58.48 -57.69 9.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -49.4 -37.85 26.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.89 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.861 HG23 HG21 ' A' ' 53' ' ' ILE . 56.7 mt -71.63 -36.63 60.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.118 179.902 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.481 ' HD2' HD13 ' A' ' 43' ' ' LEU . 74.2 t80 -65.05 -35.51 81.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.473 ' HD2' HG23 ' A' ' 6' ' ' VAL . 0.2 OUTLIER -82.82 -34.28 26.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.784 -179.945 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 68.31 53.72 20.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.43 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.5 mt -139.76 125.35 19.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.849 0.357 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.868 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.846 0.355 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.23 142.76 0.27 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -179.54 170.71 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.918 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.93 166.6 13.16 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 t -95.45 101.86 13.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.393 . . . . 0.0 110.905 -179.756 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.632 ' HB ' HG23 ' A' ' 75' ' ' ILE . 0.3 OUTLIER -159.9 146.64 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.125 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.07 146.69 4.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.792 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -49.1 -54.07 17.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -48.27 -58.84 3.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.555 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -57.17 -56.62 19.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.953 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.407 ' SD ' HG12 ' A' ' 6' ' ' VAL . 11.7 tpt -37.57 -45.08 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.8 mtp -67.98 -46.52 71.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.52 -60.17 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 7.5 mt -46.59 -46.67 19.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -47.3 86.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -50.93 -58.84 5.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.98 -55.03 40.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.043 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.626 ' HA ' HD22 ' A' ' 37' ' ' LEU . 31.0 t80 -41.31 -55.99 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.56 -46.29 57.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.077 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -55.67 -28.54 56.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.669 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -107.39 5.17 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.149 179.865 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.593 ' HA ' HG22 ' A' ' 29' ' ' ILE . 33.1 t70 -112.27 44.96 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 179.887 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.2 t -83.22 6.11 20.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 -179.858 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -61.57 -16.79 51.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.3 17.27 75.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -113.47 -19.36 11.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.31 -26.45 20.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -115.28 145.56 42.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.817 0.342 . . . . 0.0 110.904 -179.807 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.593 HG22 ' HA ' ' A' ' 22' ' ' ASP . 16.8 pt -94.76 177.46 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.199 179.888 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.423 ' HB3' ' HG2' ' A' ' 33' ' ' GLU . 13.2 t -99.18 163.48 12.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.804 -179.848 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.64 ' CZ ' HG22 ' A' ' 54' ' ' THR . 1.4 m-85 -46.1 -56.66 5.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.795 -179.919 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -54.25 -47.28 72.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.423 ' HG2' ' HB3' ' A' ' 30' ' ' SER . 1.7 mm-40 -58.94 -40.57 85.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.82 HD22 HD13 ' A' ' 69' ' ' ILE . 7.7 tp -55.9 -62.95 1.35 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -48.19 -47.59 35.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.831 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -62.3 -35.37 78.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.906 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.68 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.6 tp -69.04 -35.46 76.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.753 ' CD1' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -63.26 -48.29 78.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.984 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -75.53 -33.04 60.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.7 -26.94 64.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.819 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.46 12.45 16.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 94.8 m 49.23 53.6 12.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.753 HD23 ' CD1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -85.58 162.65 47.27 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.625 0.726 . . . . 0.0 110.899 -179.919 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -49.23 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.679 2.253 . . . . 0.0 112.33 179.837 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.484 ' N ' HD23 ' A' ' 45' ' ' LEU . 1.4 mt -53.95 141.62 48.03 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.682 0.753 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.467 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.6 Cg_endo -69.8 -167.88 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.715 2.276 . . . . 0.0 112.384 179.846 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.1 -39.37 10.12 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.46 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -69.79 -41.76 74.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.896 0.379 . . . . 0.0 110.935 -179.738 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.467 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 1.5 mmt85 -52.32 -44.71 65.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.9 t -68.64 -54.09 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -42.24 67.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -68.54 -51.11 46.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.809 HG21 HG23 ' A' ' 77' ' ' ILE . 28.1 mt -48.75 -45.14 15.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.64 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -69.14 -56.04 8.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.943 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.666 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -51.7 -36.25 46.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.984 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -85.16 -21.46 29.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.794 HD13 ' OD1' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -62.73 -61.84 2.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.96 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.582 ' HB3' ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -83.21 -7.63 59.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.759 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.666 ' HB2' ' O ' ' A' ' 55' ' ' GLU . . . -46.5 -26.79 0.94 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 179.854 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.0 p -106.52 -57.56 2.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -179.914 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 172.36 43.73 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.442 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.794 ' OD1' HD13 ' A' ' 57' ' ' LEU . 75.1 m-20 -90.23 -54.06 4.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.731 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -95.34 17.33 14.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -180.0 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -58.15 -18.99 29.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 179.854 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -51.12 -32.73 23.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -171.12 -31.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.57 -7.48 22.41 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -82.89 -169.67 2.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.754 0.311 . . . . 0.0 110.852 -179.88 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.82 HD13 HD22 ' A' ' 34' ' ' LEU . 83.7 mt -148.03 107.36 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.2 155.35 26.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -47.12 -34.73 6.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -56.58 -54.41 46.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.86 -45.85 85.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.531 ' HE2' HD13 ' A' ' 14' ' ' LEU . 14.5 t80 -52.36 -52.43 53.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.632 HG23 ' HB ' ' A' ' 6' ' ' VAL . 32.5 mm -56.9 -60.11 2.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -52.34 -30.94 31.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.812 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.809 HG23 HG21 ' A' ' 53' ' ' ILE . 32.1 mt -76.37 -38.59 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.073 179.921 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -65.58 -39.14 91.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.54 -34.41 31.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.29 -59.61 2.28 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.555 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.81 129.7 36.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.754 0.311 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.854 179.846 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 mmm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.802 0.334 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -169.99 -174.2 1.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.047 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.73 158.63 43.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.849 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.18 90.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.502 ' HB2' HG21 ' A' ' 75' ' ' ILE . 31.7 p -174.69 -169.84 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.895 0.378 . . . . 0.0 110.881 -179.703 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.672 HG13 HG23 ' A' ' 75' ' ' ILE . 2.7 m -50.08 158.99 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.089 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.08 -176.3 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.811 -179.841 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -71.91 -53.8 12.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -54.62 -42.12 70.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.613 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -71.32 -64.94 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.905 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.511 ' HB2' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -37.47 -41.51 0.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.4 mmm -69.58 -49.17 56.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.04 -59.33 3.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 8.3 mt -46.86 -48.81 20.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -47.2 87.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -48.47 -60.88 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.452 ' HB3' ' CD1' ' A' ' 37' ' ' LEU . . . -56.76 -54.63 44.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.094 179.921 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.753 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 9.1 t80 -42.32 -36.23 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.19 -52.9 61.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.057 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -56.85 -21.38 28.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.557 HG21 ' HB2' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -108.17 4.18 9.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.099 179.915 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -93.75 75.77 4.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.5 p -57.66 -36.94 72.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.16 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.26 -26.74 68.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.2 5.38 41.28 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.471 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -114.07 22.15 14.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.25 32.22 35.8 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -127.96 142.41 51.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.955 -179.882 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.753 HG23 ' CZ ' ' A' ' 18' ' ' PHE . 48.8 pt -138.0 146.89 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.097 179.919 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.42 ' HB3' ' HG2' ' A' ' 33' ' ' GLU . 10.9 t -78.28 160.83 27.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.901 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.669 ' CZ ' HD23 ' A' ' 63' ' ' LEU . 15.3 m-85 -45.83 -53.29 9.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -55.92 -48.06 76.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.924 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.42 ' HG2' ' HB3' ' A' ' 30' ' ' SER . 2.7 mm-40 -60.02 -40.38 89.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.667 HD22 HD13 ' A' ' 69' ' ' ILE . 10.7 tp -54.95 -62.63 1.53 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -50.03 -43.94 51.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -63.12 -34.03 76.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 37' ' ' LEU . 3.6 tp -71.18 -32.25 68.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.831 ' CD2' HD12 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -68.74 -36.73 78.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.958 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -88.17 -31.61 19.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.71 -28.42 61.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.059 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.35 11.15 17.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.04 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.4 t 50.39 52.3 15.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.83 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.831 HD12 ' CD2' ' A' ' 38' ' ' PHE . 4.7 mt -80.99 156.53 72.15 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.588 0.709 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' A' ' 43' ' ' LEU . 54.4 Cg_endo -69.75 -47.57 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.64 2.226 . . . . 0.0 112.374 179.844 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.449 ' N ' HD23 ' A' ' 45' ' ' LEU . 3.0 mt -49.17 140.4 12.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.572 0.701 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.458 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.7 Cg_endo -69.85 -171.24 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.639 2.226 . . . . 0.0 112.297 179.888 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.16 -40.58 13.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -67.5 -35.7 79.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 0.0 110.907 -179.79 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.458 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -56.44 -50.17 72.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.7 t -63.03 -57.98 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -40.98 65.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -67.11 -51.91 48.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.987 HG21 HG23 ' A' ' 77' ' ' ILE . 24.2 mt -50.51 -35.49 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.115 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.462 HG21 HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -73.32 -54.96 7.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 179.983 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.58 -34.57 51.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.484 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 14.8 t-20 -84.71 -31.15 24.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.542 ' CD1' HD11 ' A' ' 77' ' ' ILE . 6.3 mt -62.65 -64.1 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.635 ' HB3' ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -64.71 -12.96 52.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.839 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 56' ' ' ASN . . . -47.75 -25.54 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.1 p -122.69 51.26 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 50.54 49.56 39.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 179.891 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.468 ' C ' HD12 ' A' ' 63' ' ' LEU . 18.6 m-20 -96.38 -53.53 3.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.814 0.34 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.759 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -97.59 -22.43 16.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 -179.951 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.05 -19.16 65.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.832 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -50.75 -36.99 39.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.944 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.52 5.21 2.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.01 15.45 49.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.501 -179.91 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -129.09 -174.07 3.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.736 0.303 . . . . 0.0 110.852 -179.862 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.667 HD13 HD22 ' A' ' 34' ' ' LEU . 41.1 mt -145.52 107.84 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.186 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.8 154.48 39.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.865 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.508 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 5.7 t80 -49.08 -36.97 19.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -52.23 -55.8 18.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.935 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.74 -46.98 67.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.934 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.631 ' HZ ' HD11 ' A' ' 43' ' ' LEU . 11.5 t80 -53.76 -51.14 64.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.896 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.672 HG23 HG13 ' A' ' 6' ' ' VAL . 48.1 mm -54.84 -55.66 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -51.69 -35.84 44.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.87 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.987 HG23 HG21 ' A' ' 53' ' ' ILE . 49.7 mt -71.88 -40.45 68.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.101 179.928 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.623 ' HD2' HD13 ' A' ' 43' ' ' LEU . 38.2 t80 -68.71 -26.94 65.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.62 -34.13 19.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.97 -58.38 1.05 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.523 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.7 pp -138.64 134.78 34.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.892 0.377 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.837 . . . . . . . . 0 0 . 1 stop_ save_