data_2ksi_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 2ksi _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.9 mmpt? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.746 0.308 . . . . 74.23 110.875 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 m -46.07 -29.38 1.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 70.22 110.847 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.21 -49.95 68.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 71.01 110.857 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.53 -36.99 56.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 65.44 110.861 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.1 t -54.58 -59.78 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 74.3 111.131 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -50.21 -45.18 53.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 72.03 110.923 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.87 98.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 71.4 111.088 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -52.13 65.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.426 . . . . 75.44 110.868 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.3 mt -54.46 -51.97 44.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 74.53 111.134 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.09 -51.72 68.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 70.53 111.092 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.23 -33.47 65.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.863 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.26 -35.21 75.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 75.52 110.904 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.3 mt -60.99 -32.81 72.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 72.43 110.885 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -66.21 -15.93 63.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 73.03 110.887 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.66 -50.19 18.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 72.22 110.895 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.7 mp -47.76 104.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.493 . . . . 72.51 111.152 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.99 144.93 99.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.623 0.725 . . . . 72.22 110.894 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -15.25 36.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.256 . . . . 74.12 112.356 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.02 -2.28 39.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 74.42 111.11 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -168.54 104.62 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 71.22 110.882 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.7 mmm-85 -109.31 169.19 8.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 74.13 110.879 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -115.48 -78.54 0.58 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 73.4 110.923 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.2 t -151.08 113.66 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 63.1 111.157 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.41 135.56 54.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 64.43 110.892 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -162.67 178.98 8.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 70.02 110.868 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.3 t -86.86 122.05 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 63.33 111.135 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -117.89 162.31 18.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.909 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -124.5 136.08 53.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 74.42 110.894 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -126.65 121.09 31.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 73.13 110.829 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.79 130.95 55.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 75.14 110.866 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.6 mm -107.59 90.99 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 73.2 111.114 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.5 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 73.35 111.147 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.0 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.876 0.37 . . . . 74.42 111.135 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.2 p -125.07 -18.27 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 75.34 111.144 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -174.64 165.39 3.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 71.04 110.882 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -112.66 154.1 26.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 75.53 110.844 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.453 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -139.89 142.29 36.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 75.24 110.955 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.9 t -123.85 141.88 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 64.32 111.144 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.1 tpp -100.63 100.52 11.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 72.43 110.891 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.27 80.21 5.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 72.4 110.822 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.88 -12.87 60.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 74.54 110.908 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -82.13 -52.32 7.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 71.42 110.861 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -86.86 -6.36 58.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 70.51 110.826 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.1 t 69.74 48.53 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 74.43 111.184 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.66 170.11 18.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.941 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.2 mp -129.52 100.43 5.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 71.22 110.885 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 m -99.77 175.07 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 72.4 111.146 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.453 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.8 pm0 -106.78 111.04 23.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 73.52 110.915 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.15 166.59 14.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 73.41 110.861 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.81 118.28 23.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 73.11 110.906 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.5 162.69 39.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 64.52 110.846 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.28 91.31 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 72.52 111.072 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -93.7 156.18 16.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 73.22 111.14 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.82 -22.28 66.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 63.55 110.894 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.97 124.14 17.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 72.13 111.115 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 97.9 m -104.03 128.23 51.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 73.24 111.156 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.84 114.44 19.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 72.11 110.918 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.16 129.26 55.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 75.21 111.152 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.405 ' HG3' ' HG2' ' A' ' 90' ' ' MET . 0.3 OUTLIER -155.66 144.94 20.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 74.32 110.844 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -78.52 158.83 28.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 74.44 110.932 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.84 -52.47 32.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 75.34 110.895 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.08 -35.15 24.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 74.02 110.852 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.9 mm -83.6 -24.8 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 73.31 111.098 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.52 -52.38 65.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 75.0 110.882 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.491 ' C ' ' CD1' ' A' ' 72' ' ' PHE . 3.6 p90 -73.9 -29.12 61.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 72.11 110.91 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.58 -59.97 2.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 73.3 111.104 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 71.3 mt -70.77 -43.13 77.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 64.21 111.109 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.63 -38.25 52.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 64.3 112.5 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 34.4 p -93.94 1.76 56.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 74.33 111.11 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.48 28.96 73.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 73.41 112.527 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.56 -39.69 70.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.319 . . . . 75.45 111.049 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 31.2 mt -119.74 153.78 54.67 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.575 0.703 . . . . 75.14 110.957 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 122.66 9.34 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.666 2.244 . . . . 72.45 112.352 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.59 -28.48 68.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 54.35 111.096 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.19 -57.05 4.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 72.42 110.901 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.26 -43.71 98.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 73.2 110.849 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.04 -51.55 52.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 75.44 111.079 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.0 mtm -77.11 -26.86 53.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.882 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.93 -31.88 67.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 75.11 111.127 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -90.11 27.62 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 74.04 110.866 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 46.35 30.17 0.99 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 75.42 110.829 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -94.44 7.07 46.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 64.21 110.927 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.405 ' HG2' ' HG3' ' A' ' 66' ' ' MET . 2.3 mtm -150.95 144.19 24.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 74.15 110.88 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -119.22 108.91 15.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 74.14 110.932 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.7 p -128.19 140.34 49.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 74.54 111.105 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -131.75 113.78 13.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 71.54 110.84 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.38 168.04 28.96 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.718 -0.753 . . . . 73.23 112.493 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -54.29 118.59 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 74.11 110.919 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.4 t -43.19 -50.2 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 74.34 111.128 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -50.33 71.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 74.25 110.887 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.7 mt -48.48 -54.11 15.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 75.13 110.903 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 43.6 pt -68.96 -24.23 28.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 70.21 111.16 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.17 -15.37 60.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 75.32 110.899 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.6 mt -76.01 -32.61 59.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 65.23 110.966 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.3 mp -84.65 -12.26 54.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 74.32 110.978 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.605 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 18.4 mt-10 -59.74 -53.48 65.18 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.64 0.733 . . . . 72.44 110.898 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.605 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.7 Cg_endo -69.71 -9.16 25.44 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 73.23 112.39 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -95.77 -17.26 21.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.897 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 23.4 mt -56.51 -44.58 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 75.54 111.113 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.71 -37.48 71.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 64.22 111.114 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 24.2 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 72.33 110.899 -179.863 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.79 0.328 . . . . 74.23 110.85 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.4 p -44.7 -30.96 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 70.22 110.817 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -53.97 -50.44 66.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 71.01 110.928 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.76 -37.01 39.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 65.44 110.885 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.8 t -56.43 -57.94 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 74.3 111.12 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -48.9 -45.54 41.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 72.03 110.898 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.58 -47.73 84.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 71.4 111.086 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -53.01 63.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.902 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.9 mt -54.76 -54.04 26.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 74.53 111.125 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.69 -52.92 62.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 70.53 111.152 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -53.69 -29.49 39.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 74.23 110.884 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -33.49 64.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 75.52 110.823 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 mt -66.99 -20.74 65.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 72.43 110.86 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -56.24 -21.78 25.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 73.03 110.88 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.18 -22.63 26.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 72.22 110.905 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.5 mt -49.84 104.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.057 -0.519 . . . . 72.51 111.104 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.69 143.44 28.2 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 121.623 0.725 . . . . 72.22 110.887 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -16.15 37.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.72 2.28 . . . . 74.12 112.26 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.54 -6.66 49.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 74.42 111.08 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -171.34 103.8 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 71.22 110.888 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.13 173.44 8.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 74.13 110.902 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -124.37 -55.75 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 73.4 110.909 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.7 t -151.82 109.62 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 63.1 111.108 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.74 125.12 51.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 64.43 110.898 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.56 179.16 3.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 70.02 110.844 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.4 t -91.82 133.1 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 63.33 111.134 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -119.97 167.22 12.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.954 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -134.06 136.57 44.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 74.42 110.898 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.461 ' O ' ' HB2' ' A' ' 44' ' ' TRP . 0.4 OUTLIER -130.19 111.36 12.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 73.13 110.887 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -100.02 134.7 42.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 75.14 110.82 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.3 mm -104.58 90.44 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 73.2 111.103 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.4 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 73.35 111.115 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.8 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.913 0.387 . . . . 74.42 111.127 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.3 m -125.05 -18.33 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 75.34 111.182 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.96 156.93 15.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 71.04 110.878 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.02 152.64 34.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 75.53 110.894 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.461 ' HB2' ' O ' ' A' ' 32' ' ' PHE . 0.4 OUTLIER -135.6 147.09 48.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 75.24 110.925 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 29.1 t -121.81 142.87 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 64.32 111.14 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.3 ttm -100.77 97.33 7.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 72.43 110.888 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.57 80.45 4.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 72.4 110.871 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.8 mt -74.29 -10.12 59.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 74.54 110.921 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -82.03 -52.6 6.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 71.42 110.929 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -87.43 -5.44 58.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 70.51 110.904 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.5 t 70.51 47.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 74.43 111.1 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.3 168.47 22.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 74.13 110.964 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -128.0 100.56 5.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 71.22 110.97 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 m -97.96 176.05 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 72.4 111.096 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.458 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 4.1 pm0 -107.79 111.24 23.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 73.52 110.972 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.64 167.75 13.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 73.41 110.876 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -128.01 118.41 23.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 73.11 110.828 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.89 163.19 38.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 64.52 110.849 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.68 91.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 72.52 111.088 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.42 149.23 21.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 73.22 111.067 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -22.51 66.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 63.55 110.912 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.67 124.26 18.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 72.13 111.099 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.7 m -104.8 127.4 52.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 73.24 111.108 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.38 106.95 10.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 72.11 110.919 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.93 128.8 45.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 75.21 111.156 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -155.04 144.22 21.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 74.32 110.875 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -78.81 162.48 26.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 74.44 110.936 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.75 -59.03 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 75.34 110.851 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -51.29 -42.97 61.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 74.02 110.8 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 15.2 mm -60.27 -37.23 73.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 73.31 111.181 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -45.64 93.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.0 110.941 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -69.41 -30.37 68.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 72.11 110.916 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.38 -59.43 2.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 73.3 111.118 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.7 mt -69.11 -44.32 81.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 64.21 111.109 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.17 -39.81 51.02 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.755 -0.736 . . . . 64.3 112.465 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 41.4 p -92.65 7.13 44.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.343 . . . . 74.33 111.124 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 58.02 30.91 64.22 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.755 -0.736 . . . . 73.41 112.473 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.82 -38.81 70.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 75.45 111.083 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.74 157.17 69.66 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.621 0.724 . . . . 75.14 110.947 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 123.51 10.16 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.667 2.245 . . . . 72.45 112.331 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.03 -26.85 67.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 54.35 111.109 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.21 -56.68 5.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 72.42 110.884 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -43.39 97.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 73.2 110.898 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.03 -52.96 37.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 75.44 111.162 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.9 mtm -75.26 -26.44 58.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 72.33 110.852 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.93 -34.69 70.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 75.11 111.068 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -87.29 27.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 74.04 110.928 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 46.65 28.92 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 75.42 110.897 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.31 2.83 56.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 64.21 110.846 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.1 mtm -150.43 146.22 26.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 74.15 110.872 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -118.47 108.77 15.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 74.14 110.918 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.1 p -124.59 137.61 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 74.54 111.081 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -131.22 113.47 13.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 71.54 110.872 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.37 168.11 29.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 73.23 112.495 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 11.8 tp60 -54.36 120.2 6.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.804 0.335 . . . . 74.11 110.913 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.4 t -43.0 -50.72 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 74.34 111.164 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.86 -50.09 73.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 74.25 110.834 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 34.8 mt -48.03 -53.91 14.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 75.13 110.855 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 34.5 pt -71.45 -24.17 23.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 70.21 111.124 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -75.77 -14.27 60.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 75.32 110.812 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.33 -35.52 61.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 65.23 110.903 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.7 mp -85.14 -7.45 59.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 74.32 110.901 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.613 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 19.7 mt-10 -63.33 -53.36 53.75 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.625 0.726 . . . . 72.44 110.893 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.613 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 54.3 Cg_endo -69.67 -7.78 21.92 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.757 2.305 . . . . 73.23 112.37 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -97.99 -17.09 19.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.896 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 23.3 mt -51.61 -39.42 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 75.54 111.132 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.7 -36.18 83.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 64.22 111.073 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 32.0 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 72.33 110.857 -179.819 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.781 0.324 . . . . 74.23 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.5 m -45.88 -29.88 1.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 70.22 110.886 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -54.14 -49.86 68.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 71.01 110.916 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.99 -36.6 50.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 65.44 110.884 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.3 t -56.43 -59.44 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 74.3 111.125 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -50.67 -46.39 58.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 72.03 110.85 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.63 -43.33 99.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 71.4 111.139 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.9 mmtm -58.59 -50.64 73.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 75.44 110.894 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.3 mt -54.61 -51.09 54.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 74.53 111.127 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.16 -51.86 67.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 70.53 111.074 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -55.11 -32.17 61.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 74.23 110.917 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -34.62 72.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 75.52 110.96 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.6 mt -61.87 -33.46 74.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 72.43 110.87 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -69.25 -13.7 62.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 73.03 110.926 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.36 -51.12 16.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 72.22 110.814 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.7 mt -47.82 104.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 72.51 111.121 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.74 144.79 89.16 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.591 0.71 . . . . 72.22 110.87 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -16.77 37.66 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.721 2.28 . . . . 74.12 112.326 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.41 -0.44 37.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 74.42 111.09 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -170.72 104.79 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 71.22 110.815 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.8 mmm-85 -107.28 174.36 5.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 74.13 110.789 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -110.92 -83.07 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 73.4 110.956 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.9 t -136.58 105.09 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 63.1 111.115 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.86 126.46 34.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 64.43 110.88 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -169.56 170.87 7.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 70.02 110.893 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.3 t -98.35 130.13 47.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 63.33 111.145 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -117.27 161.13 19.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.933 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.89 138.73 53.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 74.42 110.885 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' A' ' 44' ' ' TRP . 0.1 OUTLIER -131.03 123.01 27.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 73.13 110.855 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -117.5 134.46 54.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 75.14 110.849 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.2 mm -112.85 127.74 69.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 73.2 111.169 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 73.35 111.156 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.918 0.39 . . . . 74.42 111.071 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.1 p -127.19 -29.34 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 75.34 111.149 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.79 165.69 3.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 71.04 110.885 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.48 152.83 29.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 75.53 110.904 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.429 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -135.36 145.04 46.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 75.24 110.897 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.6 t -125.0 141.57 44.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 64.32 111.153 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 tpp -100.76 97.36 8.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 72.43 110.899 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -76.14 80.56 2.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 72.4 110.9 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.2 mp -72.89 -11.94 60.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 74.54 110.935 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -83.07 -53.02 6.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 71.42 110.893 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -85.81 -7.28 58.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 70.51 110.924 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.3 t 69.95 48.78 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 74.43 111.125 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.43 167.11 26.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 74.13 110.871 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 mp -125.38 100.3 6.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 71.22 110.965 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 m -99.92 176.52 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.116 -0.493 . . . . 72.4 111.177 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.429 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.2 pm0 -108.03 110.92 22.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 73.52 110.93 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.89 170.13 9.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 73.41 110.83 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -128.54 116.37 19.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 73.11 110.926 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -156.04 169.56 24.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.499 . . . . 64.52 110.888 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.9 157.83 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 72.52 111.082 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -168.27 141.45 3.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 73.22 111.12 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.58 -24.93 68.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 63.55 110.89 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.56 124.21 18.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 72.13 111.083 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 77.6 m -108.54 129.4 55.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 73.24 111.109 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.41 114.41 17.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 72.11 110.899 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -104.39 132.2 50.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 75.21 111.138 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.7 mtt -155.68 144.4 20.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.869 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -78.95 161.33 26.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 74.44 110.895 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.05 -59.09 3.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 75.34 110.853 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -51.35 -36.48 43.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.02 110.846 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.4 mm -70.69 -32.6 49.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 73.31 111.102 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.7 tpt -62.49 -47.2 85.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 75.0 110.874 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -67.24 -32.03 72.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 72.11 110.876 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.65 -60.15 2.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 73.3 111.152 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.9 mm -63.22 -43.63 98.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 64.21 111.129 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.06 -36.06 42.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 64.3 112.517 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.7 p -97.29 0.43 48.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.343 . . . . 74.33 111.129 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 68.41 33.22 76.79 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.786 -0.721 . . . . 73.41 112.454 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.72 -43.83 16.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 75.45 111.137 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 28.4 mt -106.54 144.76 29.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.714 . . . . 75.14 110.917 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 120.25 7.07 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.668 2.246 . . . . 72.45 112.326 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.53 -33.67 71.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 54.35 111.115 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.11 -57.01 4.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 72.42 110.895 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -44.87 93.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 73.2 110.852 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.07 -52.75 40.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 75.44 111.128 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.4 mtt -74.16 -26.84 60.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 72.33 110.783 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.9 -32.06 71.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 75.11 111.072 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.22 27.51 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 74.04 110.951 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 46.46 29.55 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 75.42 110.903 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -94.26 2.01 55.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 64.21 110.917 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.9 mtm -154.32 148.71 26.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 74.15 110.876 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -120.49 108.55 14.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 74.14 110.856 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.4 p -123.25 140.03 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 74.54 111.125 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -132.71 113.64 13.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.473 . . . . 71.54 110.835 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.8 167.36 27.36 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 73.23 112.447 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.17 119.36 6.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.832 0.349 . . . . 74.11 110.904 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.3 t -42.67 -45.74 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 74.34 111.149 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.08 -48.97 79.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 74.25 110.847 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 61.0 mt -48.6 -54.36 14.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 75.13 110.94 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.9 pt -69.67 -29.12 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 70.21 111.114 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -70.06 -16.29 63.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 75.32 110.839 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 10.4 mt -76.16 -33.32 59.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 65.23 110.943 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.7 mp -82.73 -12.97 57.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.956 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.582 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 25.6 mt-10 -58.57 -55.0 50.45 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.66 0.743 . . . . 72.44 110.876 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 54.2 Cg_endo -69.74 -10.09 27.72 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.719 2.279 . . . . 73.23 112.296 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -94.4 -17.75 22.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 74.43 110.902 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.8 mt -55.58 -48.01 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 75.54 111.108 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.73 -35.92 56.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 64.22 111.131 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 72.33 110.837 -179.727 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.9 pttt . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.745 0.307 . . . . 74.23 110.897 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.69 -32.3 1.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 70.22 110.823 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -54.45 -47.91 72.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.475 . . . . 71.01 110.853 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -55.16 -39.43 69.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 65.44 110.938 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.0 t -58.32 -57.1 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 74.3 111.134 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -48.75 -41.85 33.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 72.03 110.819 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.56 -47.98 83.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 71.4 111.121 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.07 -49.27 69.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 75.44 110.908 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.4 mt -54.91 -43.14 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.53 111.142 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.27 -53.57 28.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 70.53 111.167 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.9 tttt -54.82 -32.22 60.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.86 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.47 -35.03 75.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 75.52 110.822 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.9 mt -60.7 -33.47 72.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 72.43 110.846 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -63.47 -17.14 62.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 73.03 110.916 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.1 m -77.04 -42.26 39.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 72.22 110.837 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.0 mt -48.29 104.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 72.51 111.127 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.41 145.72 99.03 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.664 0.745 . . . . 72.22 110.87 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.76 -20.71 34.46 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.638 2.225 . . . . 74.12 112.295 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.64 5.36 39.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 74.42 111.097 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -165.14 104.79 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 71.22 110.903 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.0 mmm-85 -99.25 -168.27 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 74.13 110.857 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -155.21 82.72 1.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 73.4 110.868 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.6 t 60.55 95.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 63.1 111.16 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.28 126.26 32.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 64.43 110.91 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -169.76 179.19 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 70.02 110.821 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.9 t -126.16 138.51 54.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 63.33 111.176 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.406 ' CD1' ' N ' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -136.3 149.02 48.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 74.21 110.908 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -105.69 148.96 26.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 74.42 110.867 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.11 146.54 45.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.13 110.885 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.6 mtt180 -128.61 127.78 42.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 75.14 110.892 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.4 mm -116.11 98.47 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 73.2 111.144 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' A' ' 40' ' ' VAL . 1.4 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 73.35 111.193 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.41 ' HA ' ' HA ' ' A' ' 35' ' ' THR . 8.4 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.861 0.362 . . . . 74.42 111.112 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.0 p -94.48 -27.92 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 75.34 111.165 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.34 153.36 1.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 71.04 110.907 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -95.52 158.18 15.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 75.53 110.883 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -133.64 145.42 49.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 75.24 110.871 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.1 t -129.27 138.34 54.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 64.32 111.141 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.7 99.55 10.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 72.43 110.902 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.99 94.6 7.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 72.4 110.873 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.3 mt -83.91 -3.12 57.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 74.54 110.875 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -85.49 -55.19 4.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 71.42 110.885 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -88.22 -6.12 58.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 70.51 110.852 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.5 t 70.75 49.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 74.43 111.115 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -148.51 163.72 36.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 74.13 110.918 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.5 mp -120.75 100.95 7.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 71.22 110.949 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 m -97.37 175.75 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 72.4 111.141 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -109.69 113.36 26.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 73.52 110.876 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.23 165.23 13.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 73.41 110.835 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -122.09 116.5 24.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 73.11 110.872 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.23 166.3 33.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 64.52 110.893 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.74 159.67 0.36 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.448 . . . . 72.52 111.083 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -168.73 140.21 2.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 73.22 111.098 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -63.96 -14.99 58.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 63.55 110.862 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -147.08 124.18 11.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 72.13 111.114 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 41.8 m -100.09 128.95 46.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 73.24 111.138 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.67 139.16 52.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 72.11 110.944 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.408 ' O ' ' HG3' ' A' ' 66' ' ' MET . 1.2 t -138.15 136.03 36.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.43 . . . . 75.21 111.137 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.487 ' HG3' ' HG2' ' A' ' 90' ' ' MET . 0.0 OUTLIER -157.07 142.67 17.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.879 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -76.1 159.76 30.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 74.44 110.865 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.98 -59.18 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 75.34 110.879 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -53.09 -37.83 62.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 74.02 110.813 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.8 mm -65.54 -46.09 90.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 73.31 111.14 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 62.6 tpp -51.11 -44.55 61.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 75.0 110.907 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -66.97 -30.92 71.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 72.11 110.907 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.73 -59.33 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.067 -0.515 . . . . 73.3 111.148 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 57.2 mt -66.28 -45.54 89.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 64.21 111.158 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.29 -39.67 51.7 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 64.3 112.559 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 46.0 p -93.03 8.67 38.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 74.33 111.125 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.53 24.0 51.1 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.796 -0.716 . . . . 73.41 112.493 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.4 -39.28 81.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 75.45 111.127 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.5 mt -121.15 152.75 57.45 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.627 0.727 . . . . 75.14 110.901 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 126.47 13.37 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.676 2.25 . . . . 72.45 112.351 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.45 -28.37 69.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 54.35 111.083 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -71.15 -57.0 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 72.42 110.905 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.45 -43.9 93.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 73.2 110.834 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.93 -52.35 43.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 75.44 111.161 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.1 mtt -75.23 -26.65 59.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 72.33 110.9 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.75 -33.88 70.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 75.11 111.054 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -87.45 27.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 74.04 110.933 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 46.56 29.57 0.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 75.42 110.858 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' A' ' 90' ' ' MET . 3.0 mttt -90.05 3.43 53.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 64.21 110.919 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.487 ' HG2' ' HG3' ' A' ' 66' ' ' MET . 3.5 mtm -154.58 147.09 24.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 74.15 110.858 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -116.59 108.43 15.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 74.14 110.87 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.7 p -124.85 137.67 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 74.54 111.163 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -132.44 112.64 12.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 71.54 110.888 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.47 167.66 27.47 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.712 -0.756 . . . . 73.23 112.509 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.64 118.09 3.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.846 0.355 . . . . 74.11 110.915 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 83.7 t -42.55 -44.17 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 74.34 111.116 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.86 -50.07 75.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 74.25 110.892 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 75.0 mt -48.1 -54.07 14.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 75.13 110.91 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.1 pt -71.51 -23.39 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 70.21 111.103 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -75.32 -14.15 60.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 75.32 110.819 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.63 -34.13 60.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 65.23 110.892 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.6 mp -85.77 -7.33 58.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 74.32 110.913 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.616 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 15.7 mt-10 -64.88 -52.42 50.1 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.655 0.74 . . . . 72.44 110.894 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.616 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.9 Cg_endo -69.69 -8.35 23.38 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.708 2.272 . . . . 73.23 112.381 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -97.41 -17.37 19.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 74.43 110.853 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 21.8 mt -53.64 -48.22 60.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 75.54 111.122 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.98 -37.65 71.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.481 . . . . 64.22 111.055 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 72.33 110.858 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.6 mmpt? . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.789 0.328 . . . . 74.23 110.886 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.48 -32.62 1.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 70.22 110.913 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -54.03 -49.84 68.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.495 . . . . 71.01 110.924 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -52.67 -38.14 59.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 65.44 110.933 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.427 ' CG2' ' HA ' ' A' ' 72' ' ' PHE . 67.3 t -50.81 -61.47 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 74.3 111.141 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -49.94 -47.83 52.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 72.03 110.858 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.29 91.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 71.4 111.134 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -57.0 -52.57 64.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 75.44 110.904 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.3 mt -53.85 -58.2 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 74.53 111.131 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.27 -51.61 43.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 70.53 111.132 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -55.48 -32.43 62.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 74.23 110.919 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.95 -35.48 72.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 75.52 110.818 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 mt -66.37 -19.87 65.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 72.43 110.896 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -54.81 -23.82 19.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 73.03 110.832 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.36 -23.99 34.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 72.22 110.9 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 84.1 mt -49.29 104.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 72.51 111.101 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.08 143.19 27.48 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.596 0.712 . . . . 72.22 110.856 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -13.89 35.14 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.683 2.255 . . . . 74.12 112.285 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.32 -8.44 56.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 74.42 111.095 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -171.69 103.79 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 71.22 110.897 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.74 173.91 7.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 74.13 110.857 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -123.32 -55.87 1.74 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 73.4 110.887 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 30.8 t -153.1 115.44 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 63.1 111.126 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -108.08 125.24 51.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.146 -0.479 . . . . 64.43 110.839 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -170.36 175.54 4.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.067 -0.515 . . . . 70.02 110.916 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.1 t -93.14 134.13 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 63.33 111.072 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -123.98 141.77 51.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.939 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -106.94 137.94 44.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 74.42 110.876 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -129.01 117.97 21.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 73.13 110.917 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.81 135.36 39.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 75.14 110.854 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.4 mm -112.29 90.73 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 73.2 111.071 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.0 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 73.35 111.187 179.904 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.857 0.361 . . . . 74.42 111.189 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.2 m -120.28 -26.45 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 75.34 111.096 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.73 146.73 14.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 71.04 110.862 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.14 156.28 17.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 75.53 110.859 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.415 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -141.87 149.84 40.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 75.24 110.883 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.44 142.42 43.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 64.32 111.135 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.1 tpp -100.26 106.63 18.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 72.43 110.877 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.38 84.61 6.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 72.4 110.88 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.21 -13.55 60.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 74.54 110.988 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.25 -51.29 8.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 71.42 110.877 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -85.19 -6.43 59.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 70.51 110.887 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.1 t 67.64 43.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 74.43 111.126 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.23 168.16 24.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 74.13 110.868 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.8 mp -118.78 136.58 53.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 71.22 110.934 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 m -136.86 165.85 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 72.4 111.158 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.415 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.2 pm0 -99.5 106.46 18.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 73.52 110.921 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.72 163.6 14.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 73.41 110.873 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.93 117.29 23.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 73.11 110.897 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.01 161.92 39.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 64.52 110.849 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.72 91.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 72.52 111.144 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.03 150.16 20.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 73.22 111.07 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -22.32 66.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 63.55 110.915 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.7 124.1 18.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 72.13 111.091 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.5 m -102.92 127.86 49.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 73.24 111.084 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mp -124.21 108.64 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 72.11 110.936 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.9 129.73 49.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 75.21 111.161 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 3.5 mtm -156.97 157.45 34.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 74.32 110.902 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -86.78 157.99 19.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 74.44 110.879 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.63 -56.37 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 75.34 110.862 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.79 -41.38 57.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 74.02 110.879 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 15.1 mm -62.08 -41.78 92.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 73.31 111.135 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.1 tpp -51.74 -44.12 63.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.204 -0.453 . . . . 75.0 110.922 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.427 ' HA ' ' CG2' ' A' ' 8' ' ' VAL . 41.0 t80 -70.38 -30.47 67.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 72.11 110.903 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.06 -59.97 2.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.11 -0.495 . . . . 73.3 111.116 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.2 mt -72.02 -35.58 54.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 64.21 111.109 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -48.74 -41.64 27.46 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.655 -0.783 . . . . 64.3 112.555 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.8 t -101.47 7.57 42.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.343 . . . . 74.33 111.154 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.79 34.05 88.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 73.41 112.521 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.57 -41.51 54.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.331 . . . . 75.45 111.063 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.3 mt -115.19 157.75 42.89 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.643 0.735 . . . . 75.14 110.855 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.69 106.78 1.71 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.691 2.261 . . . . 72.45 112.406 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.05 -28.77 58.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 54.35 111.096 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -49.77 42.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 72.42 110.864 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.32 -44.39 95.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 73.2 110.893 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.62 -52.29 48.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 75.44 111.115 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 7.9 mtt -74.61 -26.62 60.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.827 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.87 -29.69 70.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 75.11 111.108 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -88.06 28.18 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 74.04 110.878 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 47.27 28.3 1.01 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.431 . . . . 75.42 110.816 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.91 1.66 56.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 64.21 110.83 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.9 mtm -152.25 147.73 26.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 74.15 110.853 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -121.43 108.48 13.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 74.14 110.903 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 63.6 t -121.05 139.62 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 74.54 111.159 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -132.86 113.4 12.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 71.54 110.881 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.93 167.93 28.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 73.23 112.454 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.2 tp60 -54.48 116.51 2.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 74.11 110.869 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 64.5 t -42.93 -46.98 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 74.34 111.094 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -57.8 -49.83 75.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 74.25 110.874 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 65.1 mt -48.46 -54.12 15.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 75.13 110.944 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.2 pt -71.06 -26.11 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 70.21 111.083 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -76.11 -15.84 60.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 75.32 110.847 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.9 mt -75.76 -33.54 60.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 65.23 110.915 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.3 mp -83.1 -11.32 58.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 74.32 110.926 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.612 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 17.5 mt-10 -60.84 -53.48 63.71 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.645 0.736 . . . . 72.44 110.854 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.612 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 54.7 Cg_endo -69.72 -10.16 27.9 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.664 2.242 . . . . 73.23 112.403 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -96.85 -16.2 20.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 74.43 110.894 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.8 mt -57.13 -41.58 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 75.54 111.11 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.34 -39.58 70.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 64.22 111.122 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 72.33 110.862 -179.786 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.792 0.33 . . . . 74.23 110.912 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.402 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 0.8 OUTLIER -43.81 -30.89 0.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 70.22 110.898 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -53.49 -48.8 68.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.08 -0.509 . . . . 71.01 110.86 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -50.29 -37.59 37.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 65.44 110.905 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.402 ' HB ' ' O ' ' A' ' 5' ' ' SER . 72.7 t -57.97 -60.28 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 74.3 111.1 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -48.73 -49.16 39.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 72.03 110.892 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.15 -41.1 97.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 71.4 111.092 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -61.81 -52.77 62.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 75.44 110.913 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.2 mt -54.26 -49.04 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 74.53 111.097 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.436 ' O ' ' HG ' ' A' ' 16' ' ' LEU . . . -63.54 -54.14 40.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 70.53 111.048 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -55.54 -28.16 53.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.867 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -36.38 53.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 75.52 110.948 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -71.24 -19.78 62.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 72.43 110.927 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 13' ' ' ALA . 60.7 mt-10 -87.95 -10.22 51.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 73.03 110.876 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 m -74.05 -41.15 62.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 72.22 110.892 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.3 mp -47.88 104.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 72.51 111.112 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.56 144.34 72.7 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 121.64 0.733 . . . . 72.22 110.942 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -11.36 30.73 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.241 . . . . 74.12 112.406 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.91 -4.9 54.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 74.42 111.059 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -173.83 104.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 71.22 110.914 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.9 mmm-85 -102.94 -170.73 1.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 74.13 110.822 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.85 -78.78 0.6 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 73.4 110.92 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.8 t -137.66 122.26 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 63.1 111.159 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -110.56 126.71 54.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 64.43 110.913 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -167.77 175.58 6.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 70.02 110.828 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.0 t -96.24 124.58 49.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 63.33 111.12 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -122.77 155.0 37.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 74.21 110.935 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -120.67 136.31 54.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 74.42 110.86 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.64 119.28 26.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 73.13 110.861 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.42 132.8 43.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 75.14 110.835 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.2 mm -114.73 114.06 45.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 73.2 111.224 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 57.9 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 73.35 111.041 -179.917 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 72.6 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.85 0.357 . . . . 74.42 111.111 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.5 m -90.33 -33.74 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 75.34 111.105 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.76 147.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 71.04 110.922 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.0 162.13 17.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 75.53 110.803 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.53 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 1.0 OUTLIER -137.63 149.48 46.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 75.24 110.934 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 32.3 t -124.2 138.44 53.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 64.32 111.133 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.2 ttm -100.35 97.2 7.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 72.43 110.85 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -77.73 78.47 4.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 72.4 110.892 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.96 -14.18 60.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 74.54 110.95 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.82 -47.9 15.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 71.42 110.909 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.89 -2.71 57.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 70.51 110.881 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 t 69.2 47.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 74.43 111.094 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.75 168.0 24.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 74.13 110.915 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.3 101.57 5.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 71.22 110.929 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 m -102.36 173.27 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 72.4 111.163 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.53 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -106.82 112.75 25.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 73.52 110.837 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.15 166.52 14.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 73.41 110.86 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.88 117.61 24.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 73.11 110.879 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.4 162.47 40.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 64.52 110.882 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.99 92.98 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 72.52 111.075 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.51 151.28 19.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 73.22 111.124 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -64.35 -19.78 65.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 63.55 110.928 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -141.2 124.28 16.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 72.13 111.139 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 83.8 m -104.84 129.45 53.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 73.24 111.137 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.48 113.84 19.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 72.11 110.936 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.55 128.31 54.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 75.21 111.171 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -159.78 152.95 21.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.32 110.868 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.439 ' O ' ' HB ' ' A' ' 70' ' ' ILE . 1.9 mm-40 -80.61 163.31 23.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 74.44 110.854 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.407 ' HA ' ' HE2' ' A' ' 71' ' ' MET . 0.4 OUTLIER -55.24 -55.15 34.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 75.34 110.8 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.19 -37.86 72.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 74.02 110.852 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.439 ' HB ' ' O ' ' A' ' 67' ' ' GLU . 14.4 mm -52.64 -46.58 49.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 73.31 111.168 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.407 ' HE2' ' HA ' ' A' ' 68' ' ' ASP . 4.1 ptp -52.02 -33.8 40.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 75.0 110.911 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -71.26 -30.59 66.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 72.11 110.874 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.27 -60.73 2.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 73.3 111.179 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.5 mt -70.09 -45.35 76.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 64.21 111.166 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -51.11 -41.08 45.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.732 . . . . 64.3 112.503 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 32.8 p -88.69 -5.43 58.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 74.33 111.154 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.75 13.57 82.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.807 -0.711 . . . . 73.41 112.431 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.06 -41.67 79.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 75.45 111.046 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.26 148.63 58.49 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.555 0.693 . . . . 75.14 110.929 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 130.19 18.95 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.655 2.237 . . . . 72.45 112.445 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.75 -27.89 69.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 54.35 111.061 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -56.96 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 72.42 110.871 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -44.27 84.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 73.2 110.882 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.79 -52.82 37.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 75.44 111.057 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.0 mtm -72.77 -26.74 61.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.928 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.43 -33.39 73.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 75.11 111.155 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -85.74 27.88 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 74.04 110.933 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 46.93 28.79 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 75.42 110.856 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -93.07 0.75 57.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 64.21 110.887 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.5 mtm -148.55 143.54 26.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 74.15 110.826 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -116.94 108.85 16.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 74.14 110.939 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.9 p -130.15 138.51 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 74.54 111.166 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -131.75 113.56 13.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 71.54 110.858 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.16 167.92 28.58 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.763 -0.732 . . . . 73.23 112.501 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.2 tp60 -54.46 119.31 5.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.832 0.348 . . . . 74.11 110.908 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.0 t -42.78 -48.5 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 74.34 111.12 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -58.02 -50.5 73.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 74.25 110.911 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 54.1 mt -48.29 -54.21 14.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.144 -0.48 . . . . 75.13 110.926 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 36.2 pt -71.24 -25.03 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 70.21 111.1 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -72.72 -12.09 60.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 75.32 110.882 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.1 mt -75.73 -35.07 60.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 65.23 110.852 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.7 mp -85.07 -7.7 58.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.902 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.602 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 13.9 mt-10 -63.9 -53.5 48.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.622 0.725 . . . . 72.44 110.803 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.8 Cg_endo -69.7 -8.43 23.58 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.67 2.247 . . . . 73.23 112.405 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -96.56 -17.1 20.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.945 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 17.4 mt -57.57 -43.37 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.059 -0.519 . . . . 75.54 111.142 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.9 87.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 64.22 111.142 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 72.33 110.824 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.763 0.316 . . . . 74.23 110.876 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.463 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 6.5 p -44.31 -29.62 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 70.22 110.849 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -53.91 -44.13 70.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 71.01 110.905 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -52.85 -36.4 58.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 65.44 110.882 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.463 ' HB ' ' O ' ' A' ' 5' ' ' SER . 25.3 t -55.3 -60.5 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 74.3 111.107 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -49.83 -45.08 49.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 72.03 110.885 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.33 92.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 71.4 111.058 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.32 -51.05 70.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 75.44 110.913 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.9 mt -58.77 -35.53 56.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 74.53 111.193 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.401 ' O ' ' HG3' ' A' ' 17' ' ' GLU . . . -71.19 -55.14 8.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 70.53 111.089 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -55.08 -30.23 59.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.23 110.902 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.0 -34.29 50.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 75.52 110.908 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.84 -30.27 45.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 72.43 110.873 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 13' ' ' ALA . 40.7 mt-10 -64.52 -23.71 67.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 73.03 110.871 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.43 -21.72 59.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 72.22 110.843 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.5 mt -52.78 104.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 72.51 111.122 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.61 143.47 54.91 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.579 0.704 . . . . 72.22 110.844 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -15.03 36.64 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.715 2.277 . . . . 74.12 112.381 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.96 -5.4 43.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 74.42 111.112 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -170.05 104.47 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 71.22 110.904 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.2 mmm-85 -111.56 -170.06 1.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 74.13 110.839 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -131.11 -85.65 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 73.4 110.896 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 t -126.11 116.56 46.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 63.1 111.132 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -93.12 126.19 38.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 64.43 110.873 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.87 179.82 3.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 70.02 110.865 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.4 t -132.69 123.23 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 63.33 111.079 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -125.26 160.94 28.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 74.21 110.905 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -106.07 144.37 32.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 74.42 110.925 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.87 120.38 31.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 73.13 110.903 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.35 130.57 45.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 75.14 110.871 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 43.2 mm -115.36 90.89 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 73.2 111.051 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 40' ' ' VAL . 3.3 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 73.35 111.122 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.427 ' HA ' ' HA ' ' A' ' 35' ' ' THR . 90.7 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.877 0.37 . . . . 74.42 111.106 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.1 m -113.01 -27.67 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 75.34 111.07 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.6 138.46 1.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 71.04 110.911 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.37 163.31 17.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 75.53 110.942 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -137.72 145.87 43.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 75.24 110.892 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.6 t -132.94 138.22 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 64.32 111.076 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.05 110.15 22.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 72.43 110.916 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -87.63 91.9 8.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 72.4 110.778 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.8 mp -79.29 -8.09 58.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 74.54 110.956 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -82.48 -54.06 5.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 71.42 110.866 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.93 -4.22 59.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 70.51 110.876 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 t 64.47 46.37 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 74.43 111.245 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -149.44 150.0 31.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 74.13 110.914 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.54 137.32 39.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 71.22 110.868 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.4 m -139.91 165.31 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 72.4 111.12 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.09 112.96 26.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 73.52 110.894 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.61 169.64 10.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 73.41 110.909 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.25 114.66 19.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 73.11 110.9 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -156.65 167.94 28.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 64.52 110.878 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.38 157.62 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 72.52 111.122 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -167.39 140.58 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 73.22 111.167 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -15.58 59.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 63.55 110.899 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -147.27 124.88 11.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 72.13 111.092 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 64.7 m -101.82 129.96 48.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 73.24 111.15 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.06 135.82 52.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.47 . . . . 72.11 110.925 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -128.38 131.1 48.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 75.21 111.094 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 34.2 mtt -157.13 147.47 21.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 74.32 110.865 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -85.05 163.09 19.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 74.44 110.867 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.57 -58.44 5.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 75.34 110.849 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -51.99 -40.97 61.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 74.02 110.859 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.2 mm -58.99 -38.43 73.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 73.31 111.073 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -42.68 90.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 75.0 110.875 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -71.01 -30.22 66.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 72.11 110.919 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.84 -59.43 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 73.3 111.032 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 80.0 mt -71.79 -43.49 69.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 64.21 111.172 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.56 -40.92 55.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 64.3 112.473 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 30.7 p -89.4 3.19 53.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.854 0.359 . . . . 74.33 111.132 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.47 26.31 68.0 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 73.41 112.435 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.38 -40.72 77.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 75.45 111.101 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.61 158.52 67.42 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.646 0.736 . . . . 75.14 110.924 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 125.54 12.3 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.669 2.246 . . . . 72.45 112.394 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.66 -26.91 68.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 54.35 111.088 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -71.1 -56.01 7.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 72.42 110.899 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.45 -42.42 82.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 73.2 110.887 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.25 -51.15 56.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 75.44 111.1 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 7.3 mtm -76.14 -26.98 56.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.907 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.55 -32.51 70.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 75.11 111.113 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -89.92 28.44 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 74.04 110.896 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 48.71 28.16 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 75.42 110.888 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.48 1.01 53.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 64.21 110.92 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -157.2 151.57 25.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 74.15 110.854 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -120.72 108.41 13.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 74.14 110.916 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.0 p -123.32 139.1 51.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.116 -0.493 . . . . 74.54 111.12 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -131.0 112.51 13.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 71.54 110.881 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 165.85 167.45 26.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.83 -0.7 . . . . 73.23 112.491 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.79 117.8 3.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 74.11 110.912 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.0 t -42.64 -41.9 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 74.34 111.201 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.87 -50.22 74.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 74.25 110.908 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 80.7 mt -48.08 -54.63 12.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 75.13 110.864 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.8 pt -71.19 -23.09 22.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 70.21 111.113 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -76.34 -14.26 60.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.272 -0.422 . . . . 75.32 110.906 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.91 -38.01 58.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 65.23 110.93 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.7 mp -83.54 -5.92 59.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.969 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.588 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 16.8 mt-10 -65.76 -54.89 25.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.633 0.73 . . . . 72.44 110.852 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.588 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.5 Cg_endo -69.68 -8.45 23.63 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.653 2.236 . . . . 73.23 112.311 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -94.93 -16.47 22.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.842 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.4 mt -56.59 -38.54 57.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 75.54 111.137 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.5 -40.82 89.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 64.22 111.085 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 72.33 110.766 -179.701 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.828 0.346 . . . . 74.23 110.936 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 m -45.17 -30.46 1.17 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.224 -0.444 . . . . 70.22 110.913 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -54.06 -50.2 67.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.503 . . . . 71.01 110.824 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.9 -36.42 38.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 65.44 110.871 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.2 t -56.56 -61.02 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 74.3 111.113 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -48.93 -47.15 43.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 72.03 110.854 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.78 -45.25 93.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 71.4 111.148 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -56.5 -51.31 68.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 75.44 110.956 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.3 mt -55.43 -56.8 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 74.53 111.121 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.1 -53.03 58.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 70.53 111.154 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -25.82 38.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.869 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -33.27 55.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 75.52 110.856 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.7 mt -67.72 -39.11 84.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 72.43 110.932 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -61.6 -18.39 59.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 73.03 110.898 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 t -74.93 -50.83 15.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 72.22 110.881 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.6 mp -48.33 104.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 72.51 111.094 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.17 144.85 75.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.612 0.72 . . . . 72.22 110.855 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -17.51 37.41 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.636 2.224 . . . . 74.12 112.266 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.87 -5.44 43.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.336 -0.393 . . . . 74.42 111.084 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -164.34 104.21 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 71.22 110.942 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.5 mmm-85 -109.33 -179.33 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 74.13 110.897 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -119.5 -79.87 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 73.4 110.92 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.88 112.67 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 63.1 111.08 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -104.03 126.79 51.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 64.43 110.938 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -167.64 169.18 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 70.02 110.87 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.2 t -86.86 126.53 40.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 63.33 111.152 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -112.95 173.06 6.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 74.21 110.944 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -138.29 133.85 33.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 74.42 110.891 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.9 128.01 46.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 73.13 110.894 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -113.16 135.58 53.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 75.14 110.947 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.8 mm -114.22 105.1 18.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 73.2 111.129 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.9 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 73.35 111.177 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.801 0.334 . . . . 74.42 111.18 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.4 p -120.62 -20.85 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 75.34 111.118 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.1 165.08 4.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 71.04 110.948 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -112.15 151.45 29.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 75.53 110.883 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -139.89 157.57 45.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 75.24 110.943 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.7 p -145.46 138.62 21.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 64.32 111.098 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -98.98 116.36 31.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 72.43 110.906 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -92.22 86.98 5.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 72.4 110.865 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.3 -6.21 41.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 74.54 110.893 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.14 -53.99 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 71.42 110.911 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -83.87 -8.35 59.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 70.51 110.889 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.0 t 68.7 41.07 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 74.43 111.065 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.8 ptmt -149.4 156.77 42.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 74.13 110.883 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.5 mp -102.78 139.51 38.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 71.22 110.856 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 m -136.64 157.83 36.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 72.4 111.091 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.47 101.96 13.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 73.52 110.896 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.87 164.71 14.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 73.41 110.921 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.32 117.54 25.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 73.11 110.83 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -144.12 158.83 43.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 64.52 110.902 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.07 93.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 72.52 111.053 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.78 144.63 27.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 73.22 111.086 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.07 -16.9 62.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 63.55 110.863 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.82 124.36 13.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 72.13 111.119 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.8 m -106.45 130.26 54.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 73.24 111.121 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 mp -128.28 107.07 9.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 72.11 110.923 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 t -98.56 134.5 41.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 75.21 111.17 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.457 ' HG3' ' HG2' ' A' ' 90' ' ' MET . 0.2 OUTLIER -159.89 152.27 20.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 74.32 110.824 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -83.74 158.56 21.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 74.44 110.868 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.84 -58.84 3.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 75.34 110.854 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.55 -47.23 63.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 74.02 110.855 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 15.0 mm -53.03 -44.95 51.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 73.31 111.084 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.0 tpp -50.76 -42.39 57.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 75.0 110.886 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -68.09 -31.05 70.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 72.11 110.858 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.96 -59.49 2.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 73.3 111.083 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 44.7 mt -66.61 -46.27 86.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 64.21 111.113 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.52 -36.89 48.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 64.3 112.46 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 43.4 p -93.83 5.3 52.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.829 0.347 . . . . 74.33 111.139 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.37 32.01 71.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.824 -0.703 . . . . 73.41 112.43 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.37 -39.59 59.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.813 0.34 . . . . 75.45 111.132 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.4 155.72 71.28 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.628 0.727 . . . . 75.14 110.944 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 126.52 13.39 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.665 2.244 . . . . 72.45 112.375 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.42 -34.92 79.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 54.35 111.051 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -65.28 -54.76 24.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 72.42 110.934 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.12 -45.36 93.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 73.2 110.886 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.63 -50.08 55.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 75.44 111.047 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.2 mtt -77.32 -26.7 52.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 72.33 110.861 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.66 -29.27 69.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 75.11 111.137 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -88.22 29.03 0.99 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 74.04 110.908 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.0 t0 46.57 28.16 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 75.42 110.948 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.77 5.16 49.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 64.21 110.91 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.457 ' HG2' ' HG3' ' A' ' 66' ' ' MET . 0.0 OUTLIER -165.82 152.19 9.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 74.15 110.883 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -117.25 108.92 16.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 74.14 110.884 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.7 m -115.65 139.94 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 74.54 111.082 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -132.38 113.31 13.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 71.54 110.835 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.75 167.55 27.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.646 -0.788 . . . . 73.23 112.411 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.03 120.31 7.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 74.11 110.863 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 53.3 t -42.18 -43.35 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 74.34 111.171 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -46.75 72.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.064 -0.516 . . . . 74.25 110.972 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.78 -54.62 14.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 75.13 110.933 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.8 pp -71.11 -15.59 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 70.21 111.134 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -83.62 -10.65 58.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 75.32 110.874 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -75.81 -37.56 59.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 65.23 110.93 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.9 mp -84.96 -6.21 59.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.32 110.914 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.614 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 10.9 mt-10 -64.15 -53.35 48.36 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.677 0.751 . . . . 72.44 110.883 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.614 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.6 Cg_endo -69.83 -8.54 23.85 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.675 2.25 . . . . 73.23 112.369 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -96.18 -17.25 20.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 74.43 110.82 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 18.0 mt -54.93 -47.37 76.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 75.54 111.132 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.0 80.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 64.22 111.117 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 72.33 110.877 -179.827 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.775 0.321 . . . . 74.23 110.887 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.71 -32.11 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 70.22 110.879 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -53.62 -50.91 64.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 71.01 110.875 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -52.1 -39.89 60.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 65.44 110.853 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.5 t -52.26 -59.98 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.3 111.165 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -49.65 -45.81 48.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 72.03 110.93 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.54 -44.4 89.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 71.4 111.056 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -64.1 -53.25 52.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 75.44 110.909 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.5 mt -56.94 -55.14 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 74.53 111.153 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.58 -53.41 38.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 70.53 111.069 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -54.09 -29.72 45.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.851 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -33.89 65.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 75.52 110.903 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.3 mt -65.69 -21.84 66.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 72.43 110.959 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -54.68 -22.95 15.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 73.03 110.838 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 t -85.49 -23.51 27.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 72.22 110.91 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.3 mt -49.6 104.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 72.51 111.146 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.41 143.38 27.98 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.676 0.751 . . . . 72.22 110.844 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -17.3 37.66 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.721 2.281 . . . . 74.12 112.3 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.5 -5.7 44.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 74.42 111.15 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -169.08 103.33 0.38 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 71.22 110.885 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.52 174.68 9.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 74.13 110.932 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -128.02 -59.52 1.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 73.4 110.916 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.3 t -145.13 112.0 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 63.1 111.128 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.57 124.58 51.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 64.43 110.853 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -171.17 -179.51 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 70.02 110.911 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -86.07 128.04 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 63.33 111.152 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -107.72 173.24 6.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 74.21 110.942 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -139.83 130.51 25.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.933 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -127.34 133.0 50.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 73.13 110.81 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.2 mtt85 -118.09 134.05 55.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 75.14 110.847 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.6 mm -109.53 93.76 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 73.2 111.108 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 36.2 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 73.35 111.189 179.926 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.933 0.397 . . . . 74.42 111.06 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.3 p -121.21 -18.77 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 75.34 111.133 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -168.05 163.39 13.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 71.04 110.905 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -113.42 152.52 29.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 75.53 110.946 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -142.33 156.89 45.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 75.24 110.937 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.9 p -146.88 138.53 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 64.32 111.155 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -99.54 119.22 37.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 72.43 110.843 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -98.08 95.15 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 72.4 110.873 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.7 mt -79.38 0.69 28.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 74.54 110.892 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.73 -55.52 4.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 71.42 110.907 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -88.6 -7.76 55.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 70.51 110.855 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.5 t 69.02 45.13 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 74.43 111.173 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -149.58 137.51 20.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.13 110.888 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.81 139.82 31.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 71.22 110.938 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 m -138.95 161.13 29.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 72.4 111.13 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.09 107.52 18.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 73.52 110.855 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.49 164.46 12.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 73.41 110.855 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -117.73 117.09 28.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.125 -0.489 . . . . 73.11 110.844 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -148.04 157.83 43.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 64.52 110.897 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.64 93.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 72.52 111.036 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.27 146.71 24.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 73.22 111.101 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.58 -21.58 66.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 63.55 110.857 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.34 124.37 15.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 72.13 111.067 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 53.9 m -98.26 128.54 44.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 73.24 111.152 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.04 111.19 16.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 72.11 110.978 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.97 129.55 55.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 75.21 111.129 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.31 162.33 35.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.9 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -92.38 160.94 14.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 74.44 110.926 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.4 -57.97 5.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.85 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.76 -33.57 23.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 74.02 110.823 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 15.1 mm -74.88 -33.32 29.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 73.31 111.108 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.4 mmt -60.16 -47.98 83.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.484 . . . . 75.0 110.837 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -71.35 -30.39 66.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 72.11 110.906 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.92 -59.38 2.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 73.3 111.094 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 57.8 mt -72.7 -35.36 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 64.21 111.131 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.11 -41.6 38.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 64.3 112.484 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.2 t -98.79 4.44 47.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.879 0.371 . . . . 74.33 111.192 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.67 31.91 81.44 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.716 -0.754 . . . . 73.41 112.502 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.64 -37.82 87.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 75.45 111.117 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.74 159.4 56.0 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.635 0.731 . . . . 75.14 110.927 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 119.42 6.37 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.705 2.27 . . . . 72.45 112.324 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.61 -26.23 68.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 54.35 111.073 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -56.42 6.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.296 -0.411 . . . . 72.42 110.872 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -63.05 -44.38 96.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 73.2 110.92 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.52 -51.3 56.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.488 . . . . 75.44 111.153 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.2 mtt -75.88 -26.64 57.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.852 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.63 -33.22 71.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 75.11 111.093 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -87.95 28.14 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 74.04 110.955 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 47.57 28.56 1.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 75.42 110.914 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.08 6.75 46.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 64.21 110.801 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 1.6 mtm -150.4 142.48 24.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 74.15 110.876 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -117.52 108.85 16.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 74.14 110.863 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.4 t -131.41 139.01 51.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 74.54 111.13 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -131.1 113.37 13.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 71.54 110.873 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.88 167.55 27.74 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.717 -0.754 . . . . 73.23 112.441 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.62 119.19 4.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 74.11 110.902 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.9 t -42.75 -44.29 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 74.34 111.1 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.92 -50.37 73.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 74.25 110.93 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 70.1 mt -48.3 -54.33 14.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 75.13 110.919 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 28.9 pt -70.25 -21.77 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 70.21 111.146 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -79.63 -13.9 59.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 75.32 110.824 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.56 -40.89 56.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 65.23 111.005 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.5 mp -82.42 -7.05 59.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.93 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.579 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 13.4 mt-10 -62.52 -55.31 40.5 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.662 0.744 . . . . 72.44 110.909 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.579 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.9 Cg_endo -69.76 -9.08 25.23 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.721 2.28 . . . . 73.23 112.362 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -95.54 -16.97 21.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 74.43 110.879 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.2 mt -55.3 -46.16 78.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 75.54 111.14 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.19 -37.99 89.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 64.22 111.073 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 72.33 110.904 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.805 0.336 . . . . 74.23 110.884 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 p -44.63 -30.88 0.99 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 70.22 110.866 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.22 -50.0 68.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 71.01 110.884 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -53.22 -39.18 63.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 65.44 110.887 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.3 t -57.46 -57.94 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 74.3 111.134 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -48.7 -44.51 38.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 72.03 110.923 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.18 -49.3 74.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 71.4 111.113 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -51.48 -51.84 51.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 75.44 110.893 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.3 mt -51.88 -58.91 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.53 111.191 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.74 -49.97 35.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 70.53 111.119 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -43.58 76.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 74.23 110.937 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -58.46 -37.25 75.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 75.52 110.923 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 mt -61.74 -18.78 61.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 72.43 110.981 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -80.63 -16.97 52.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 73.03 110.962 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.9 m -74.48 -46.11 41.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 72.22 110.845 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.4 mp -48.14 104.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 72.51 111.11 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.79 144.07 47.8 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.579 0.704 . . . . 72.22 110.882 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -21.49 33.44 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.676 2.251 . . . . 74.12 112.38 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.92 8.88 21.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 74.42 111.13 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -167.27 104.59 0.54 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 71.22 110.864 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 -109.47 175.26 5.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 74.13 110.928 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -115.34 -79.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 73.4 110.958 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.4 t -142.66 101.73 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 63.1 111.12 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -82.91 126.43 32.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 64.43 110.878 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -169.36 170.69 8.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 70.02 110.879 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.6 t -98.62 136.27 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 63.33 111.097 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -126.66 166.89 16.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.252 -0.431 . . . . 74.21 110.891 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -139.06 137.88 36.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 74.42 110.869 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.26 150.1 34.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 73.13 110.921 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.22 126.34 45.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 75.14 110.895 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.1 mm -107.34 92.43 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 73.2 111.196 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.9 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 73.35 111.175 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.984 0.421 . . . . 74.42 111.071 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.2 p -123.51 -19.25 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 75.34 111.138 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.13 165.17 3.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 71.04 110.877 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.15 153.22 31.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 75.53 110.872 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.422 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.6 OUTLIER -132.3 149.87 52.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.473 . . . . 75.24 110.94 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 82.6 t -126.21 138.74 53.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 64.32 111.143 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -100.53 97.53 8.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 72.43 110.898 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -83.7 91.92 7.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 72.4 110.919 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.9 mp -81.92 -3.49 54.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 74.54 110.942 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -86.21 -56.13 3.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 71.42 110.931 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.95 -9.43 51.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 70.51 110.86 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.1 t 69.89 48.72 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 74.43 111.103 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -148.1 122.85 9.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 74.13 110.899 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 mp -83.7 100.34 10.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 71.22 110.902 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 m -96.22 175.77 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 72.4 111.11 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.422 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 2.3 pt-20 -109.44 113.44 26.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.483 . . . . 73.52 110.932 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.72 166.23 15.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 73.41 110.843 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.27 117.39 25.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.095 -0.502 . . . . 73.11 110.803 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.66 162.82 40.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 64.52 110.832 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.01 90.8 2.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 72.52 111.078 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.42 159.48 15.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 73.22 111.123 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.58 -25.82 68.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 63.55 110.93 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.0 124.35 19.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 72.13 111.141 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.8 m -112.8 123.68 50.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 73.24 111.123 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.06 104.58 12.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 72.11 110.91 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.457 ' O ' ' HG3' ' A' ' 66' ' ' MET . 1.8 m -99.22 124.54 44.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.257 -0.429 . . . . 75.21 111.174 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.457 ' HG3' ' O ' ' A' ' 65' ' ' THR . 2.0 mtp -153.47 141.37 20.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 74.32 110.868 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.61 157.09 38.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 74.44 110.862 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.62 -56.66 6.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 75.34 110.816 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.458 ' O ' ' CE2' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -49.87 -33.41 16.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 74.02 110.863 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.1 mm -83.72 -22.24 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 73.31 111.124 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 29.5 tpp -61.02 -53.04 62.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 75.0 110.902 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.503 ' C ' ' CD1' ' A' ' 72' ' ' PHE . 3.0 p90 -68.07 -29.34 68.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 72.11 110.823 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.67 -60.31 2.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 73.3 111.133 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.1 mm -59.47 -47.32 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.389 . . . . 64.21 111.128 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -53.1 -33.85 45.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 64.3 112.433 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 69.2 p -99.25 4.34 46.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 74.33 111.131 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.39 44.06 98.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.741 . . . . 73.41 112.515 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.32 -42.4 9.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 75.45 111.098 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.6 mt -107.32 146.55 33.48 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.625 0.726 . . . . 75.14 110.884 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 114.01 3.57 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.271 . . . . 72.45 112.309 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.19 -31.7 65.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 54.35 111.051 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -71.1 -53.05 15.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 72.42 110.927 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.61 -44.91 95.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 73.2 110.885 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.04 -51.6 51.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 75.44 111.09 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.2 mtt -75.85 -26.84 57.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 72.33 110.863 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.38 -32.63 70.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 75.11 111.142 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -90.16 27.79 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 74.04 110.91 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 46.85 29.47 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 75.42 110.909 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.94 5.45 51.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 64.21 110.868 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -160.14 150.54 18.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 74.15 110.836 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -121.34 107.95 13.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 74.14 110.955 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.9 p -112.85 137.47 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 74.54 111.129 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -130.55 112.26 13.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 71.54 110.871 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.1 167.45 26.77 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 73.23 112.489 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -58.22 125.15 21.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.877 0.37 . . . . 74.11 110.905 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 67.0 t -42.22 -49.11 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 74.34 111.099 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -61.16 -47.21 87.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 74.25 110.94 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -47.92 -54.25 13.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 75.13 110.921 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 33.2 pt -68.73 -25.82 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 70.21 111.098 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -76.16 -16.31 59.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 75.32 110.892 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -75.72 -31.76 59.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 65.23 110.925 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.5 mp -86.19 -8.61 57.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.32 110.98 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.635 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 27.1 mt-10 -63.64 -51.35 66.77 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.695 0.76 . . . . 72.44 110.934 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.4 Cg_endo -69.79 -10.1 27.7 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.714 2.276 . . . . 73.23 112.34 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -95.59 -17.23 21.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.862 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 24.7 mt -56.0 -44.83 79.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 75.54 111.095 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.65 -41.88 91.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 64.22 111.112 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 72.33 110.891 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.798 0.332 . . . . 74.23 110.949 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.459 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 0.9 OUTLIER -44.99 -28.24 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 70.22 110.911 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -54.24 -43.47 70.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 71.01 110.91 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -55.01 -37.2 66.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 65.44 110.852 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.459 ' HB ' ' O ' ' A' ' 5' ' ' SER . 32.5 t -53.81 -61.17 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 74.3 111.107 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -49.42 -43.34 44.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 72.03 110.903 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.84 92.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 71.4 111.077 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -54.31 -48.55 71.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 75.44 110.876 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.5 mt -53.78 -50.89 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 74.53 111.148 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.74 -52.71 63.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 70.53 111.08 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -29.52 58.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 74.23 110.803 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -34.69 67.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.29 -0.414 . . . . 75.52 110.886 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.1 mt -63.14 -28.62 70.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 72.43 110.908 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -57.18 -24.0 51.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 73.03 110.882 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.51 -25.43 57.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 72.22 110.917 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.0 mt -49.47 105.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.515 . . . . 72.51 111.147 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.72 144.56 28.06 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.603 0.716 . . . . 72.22 110.873 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -16.11 37.37 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.725 2.284 . . . . 74.12 112.357 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.15 -4.91 41.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 74.42 111.134 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.66 104.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 71.22 110.853 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.2 mmm-85 -111.23 176.82 4.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 74.13 110.841 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -119.83 -79.88 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 73.4 110.945 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.8 p -141.95 114.19 3.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 63.1 111.123 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.08 125.18 50.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 64.43 110.891 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.61 179.05 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 70.02 110.894 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.9 t -94.45 127.31 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 63.33 111.143 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -117.78 172.53 7.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.961 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -137.77 133.86 34.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 74.42 110.928 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.41 115.68 19.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 73.13 110.911 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.9 133.36 38.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 75.14 110.89 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.7 mm -115.34 135.84 54.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 73.2 111.16 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.6 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 73.35 111.139 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.842 0.353 . . . . 74.42 111.174 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.7 p -86.97 -34.99 8.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 75.34 111.135 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.71 149.54 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 71.04 110.877 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -86.68 162.12 18.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 75.53 110.867 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.466 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.7 OUTLIER -138.25 149.92 46.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 75.24 110.83 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.3 t -124.62 141.06 45.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 64.32 111.113 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -100.29 101.55 12.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 72.43 110.908 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.37 80.49 7.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 72.4 110.933 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mp -74.33 -14.3 60.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 74.54 110.89 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -81.72 -51.6 8.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 71.42 110.872 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -85.66 -5.86 59.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 70.51 110.878 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.5 t 69.25 46.68 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 74.43 111.128 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -147.91 171.19 16.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.881 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 mp -131.18 100.74 5.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 71.22 110.891 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -99.43 172.1 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 72.4 111.115 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.466 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.1 pp20? -104.63 110.85 23.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 73.52 110.897 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.07 166.74 15.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 73.41 110.91 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.2 117.88 23.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 73.11 110.883 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.52 163.02 38.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 64.52 110.875 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.34 92.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 72.52 111.103 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.49 149.73 20.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 73.22 111.088 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.19 -22.21 66.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 63.55 110.928 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.56 123.79 19.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 72.13 111.068 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.2 m -101.3 125.66 47.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 73.24 111.158 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mt -121.01 104.99 10.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 72.11 110.941 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.89 126.83 48.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 75.21 111.138 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 4.9 mtt -154.13 141.57 19.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 74.32 110.903 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -74.18 154.88 38.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.908 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.96 -55.29 15.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 75.34 110.875 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.402 ' O ' ' CE2' ' A' ' 72' ' ' PHE . 4.2 m-20 -51.4 -28.95 14.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 74.02 110.826 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.7 mm -83.45 -22.83 8.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 73.31 111.205 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.473 ' CG ' ' N ' ' A' ' 72' ' ' PHE . 1.2 ptt? -61.75 -46.47 89.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 75.0 110.915 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.496 ' C ' ' CD1' ' A' ' 72' ' ' PHE . 2.9 p90 -76.95 -28.55 55.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 72.11 110.917 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.95 -59.44 3.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 73.3 111.121 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 53.8 mt -75.62 -32.86 25.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 64.21 111.112 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.85 -41.42 44.23 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.761 -0.733 . . . . 64.3 112.493 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.2 t -98.5 12.34 35.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 74.33 111.164 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 58.0 30.03 63.0 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.688 -0.768 . . . . 73.41 112.489 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.02 -40.91 74.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.76 0.314 . . . . 75.45 111.051 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.2 mt -121.38 157.83 55.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.613 0.72 . . . . 75.14 110.912 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 117.44 5.08 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.681 2.254 . . . . 72.45 112.343 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.56 -38.44 81.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 54.35 111.109 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -62.48 -50.53 71.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 72.42 110.905 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.34 -45.09 95.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 73.2 110.896 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.92 -50.42 57.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.493 . . . . 75.44 111.144 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.9 mtt -76.11 -26.86 56.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.931 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.96 -31.54 71.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 75.11 111.121 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -88.83 28.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 74.04 110.917 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 47.61 27.83 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 75.42 110.866 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.09 3.38 49.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 64.21 110.932 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -158.76 152.34 23.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 74.15 110.865 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -125.29 108.13 11.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 74.14 110.899 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.2 m -121.25 144.32 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 74.54 111.187 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -133.6 112.47 11.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 71.54 110.826 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.61 167.98 28.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.794 -0.717 . . . . 73.23 112.502 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -55.02 115.34 2.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.371 . . . . 74.11 110.914 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.7 t -43.21 -44.42 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 74.34 111.08 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -56.67 -50.1 73.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 74.25 110.891 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 70.8 mt -48.21 -54.1 14.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 75.13 110.927 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 34.6 pt -70.71 -24.21 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 70.21 111.096 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -77.33 -15.05 59.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 75.32 110.873 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -75.15 -32.52 61.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 65.23 110.924 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.6 mp -87.13 -7.71 57.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 74.32 110.886 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.628 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 12.7 mt-10 -63.52 -52.11 62.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.685 0.755 . . . . 72.44 110.948 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.628 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 54.6 Cg_endo -69.67 -8.48 23.71 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.763 2.309 . . . . 73.23 112.329 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -97.44 -16.6 20.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 74.43 110.965 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 27.1 mt -55.67 -41.03 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 75.54 111.15 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.08 -40.13 82.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 64.22 111.121 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 72.33 110.833 -179.732 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.789 0.328 . . . . 74.23 110.91 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -45.76 -27.03 0.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 70.22 110.894 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -53.71 -47.76 70.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 71.01 110.845 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.26 -38.12 57.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 65.44 110.88 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.6 t -55.05 -58.22 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 74.3 111.221 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -51.57 -43.28 62.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.504 . . . . 72.03 110.881 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.66 -44.19 87.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 71.4 111.133 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -58.09 -51.41 69.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 75.44 110.897 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.5 mt -54.75 -54.14 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 74.53 111.117 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.443 ' O ' ' HG3' ' A' ' 17' ' ' GLU . . . -57.1 -55.52 33.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 70.53 111.173 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -57.51 -30.96 65.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 74.23 110.855 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -37.32 53.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 75.52 110.801 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.422 ' CD2' ' HA ' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -69.98 -20.61 63.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 72.43 110.886 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 13' ' ' ALA . 34.6 mt-10 -64.93 -13.93 58.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 73.03 110.907 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.24 -17.4 60.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 72.22 110.859 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.9 mt -46.15 137.27 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 72.51 111.142 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.3 143.8 31.06 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.612 0.72 . . . . 72.22 110.879 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -7.64 21.57 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.716 2.278 . . . . 74.12 112.318 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.69 -4.3 58.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 74.42 111.093 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.69 107.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 71.22 110.857 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.6 mmm-85 -102.13 176.45 5.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 74.13 110.86 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.476 ' O ' ' HB ' ' A' ' 26' ' ' VAL . 2.6 tp60 -110.07 -48.51 3.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 73.4 110.923 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.476 ' HB ' ' O ' ' A' ' 25' ' ' GLN . 7.8 p 175.76 127.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 63.1 111.177 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -99.34 123.63 43.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 64.43 110.904 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.09 179.34 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 70.02 110.839 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.3 t -103.93 132.83 49.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 63.33 111.122 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -116.98 169.25 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 74.21 110.936 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -138.38 132.23 31.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 74.42 110.869 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.411 ' O ' ' N ' ' A' ' 44' ' ' TRP . 0.3 OUTLIER -127.86 115.3 18.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.905 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.75 133.69 40.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 75.14 110.852 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.1 mm -115.34 112.52 40.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 73.2 111.187 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.6 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 73.35 111.148 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.3 t . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.969 0.414 . . . . 74.42 111.056 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.8 p -86.35 -35.61 9.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.134 -0.485 . . . . 75.34 111.19 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.46 150.23 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 71.04 110.878 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -90.68 165.49 13.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 75.53 110.889 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.468 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.8 OUTLIER -140.77 142.94 34.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.188 -0.46 . . . . 75.24 110.961 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 71.1 t -124.36 141.56 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 64.32 111.127 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.93 100.08 10.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 72.43 110.871 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.34 85.12 6.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 72.4 110.909 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.3 mp -75.97 -7.95 55.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 74.54 110.894 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -84.66 -55.92 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 71.42 110.904 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -83.86 -5.69 59.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 70.51 110.89 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.4 t 69.53 47.98 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 74.43 111.104 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -148.47 166.17 28.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 74.13 110.936 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.64 100.49 6.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 71.22 110.912 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 m -97.58 176.91 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 72.4 111.112 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.5 pt-20 -109.96 114.23 27.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 73.52 110.866 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.52 167.38 13.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 73.41 110.828 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -125.59 117.49 23.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 73.11 110.896 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.32 163.13 39.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 64.52 110.826 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.77 92.4 1.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 72.52 111.11 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.26 159.15 15.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 73.22 111.064 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -23.45 67.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 63.55 110.914 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.1 123.56 18.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 72.13 111.102 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 74.9 m -102.09 126.2 48.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 73.24 111.204 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.27 105.03 9.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 72.11 110.901 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.87 127.4 46.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 75.21 111.122 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -153.83 141.5 19.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.865 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -76.95 155.7 32.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 74.44 110.85 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.16 -53.13 17.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 75.34 110.812 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.413 ' HA ' ' CE2' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -50.57 -34.19 24.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 74.02 110.801 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 15.3 mm -77.95 -22.63 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 73.31 111.092 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.1 tpp -63.26 -51.13 67.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 75.0 110.886 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.495 ' C ' ' CD1' ' A' ' 72' ' ' PHE . 2.6 p90 -71.63 -29.18 64.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 72.11 110.878 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.36 -59.95 2.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 73.3 111.04 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.1 mt -70.61 -43.38 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 64.21 111.182 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -53.18 -37.99 55.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.747 . . . . 64.3 112.528 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.4 p -93.39 5.86 50.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.822 0.344 . . . . 74.33 111.16 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.49 28.09 64.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 73.41 112.507 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.22 -39.91 65.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 75.45 111.094 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 60.6 mt -120.85 153.53 57.19 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.584 0.707 . . . . 75.14 110.922 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 125.85 12.61 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.735 2.29 . . . . 72.45 112.295 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.77 -28.95 70.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 54.35 111.103 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -56.16 6.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 72.42 110.888 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.62 -44.35 96.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 73.2 110.875 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.81 -52.01 45.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 75.44 111.129 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 7.6 mtm -75.79 -26.29 57.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 72.33 110.881 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.35 -33.32 71.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 75.11 111.083 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -85.92 28.0 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 74.04 110.935 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 t70 47.02 28.38 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 75.42 110.82 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -92.25 2.23 56.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 64.21 110.91 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.8 mtm -150.24 146.34 26.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 74.15 110.873 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -122.11 108.55 13.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 74.14 110.83 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.7 p -123.04 141.18 44.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 74.54 111.098 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -132.5 112.81 12.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 71.54 110.811 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.04 168.18 28.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.805 -0.712 . . . . 73.23 112.544 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -54.64 117.78 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 74.11 110.878 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 84.3 t -43.32 -48.47 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 74.34 111.146 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -51.0 69.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 74.25 110.912 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 40.1 mt -48.34 -54.16 14.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 75.13 110.928 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 36.2 pt -70.44 -22.91 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 70.21 111.047 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -78.23 -14.48 59.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 75.32 110.953 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.7 mt -75.05 -36.33 61.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 65.23 110.909 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.1 mp -86.55 -4.98 59.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 74.32 110.92 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.626 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 8.2 mt-10 -64.64 -52.52 51.09 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.65 0.738 . . . . 72.44 110.823 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.8 Cg_endo -69.78 -7.66 21.63 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.687 2.258 . . . . 73.23 112.331 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -97.72 -17.19 19.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 74.43 110.879 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 27.5 mt -50.98 -38.85 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 75.54 111.139 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.65 -39.59 93.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 64.22 111.08 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.897 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.738 0.304 . . . . 74.23 110.891 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.4 p -45.58 -29.5 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 70.22 110.861 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -54.08 -50.55 66.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.073 -0.512 . . . . 71.01 110.847 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -54.79 -40.34 69.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 65.44 110.852 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.1 t -56.71 -58.08 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 74.3 111.127 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -48.89 -42.41 36.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 72.03 110.875 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.9 -47.82 83.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 71.4 111.154 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 6.7 mmpt? -56.14 -49.94 72.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 75.44 110.854 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.438 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 57.7 mt -54.28 -47.53 68.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 74.53 111.128 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.407 ' HA ' ' HG ' ' A' ' 16' ' ' LEU . . . -66.41 -53.57 34.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 70.53 111.04 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -54.32 -26.18 28.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.279 -0.419 . . . . 74.23 110.88 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -32.88 59.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 75.52 110.92 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 12' ' ' ILE . 8.3 mt -64.67 -28.72 69.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 72.43 110.909 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -55.46 -23.01 23.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 73.03 110.893 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.4 -28.56 52.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 72.22 110.912 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.6 mt -50.64 104.82 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 72.51 111.115 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.63 151.54 40.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.529 0.681 . . . . 72.22 110.949 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -29.16 23.95 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.709 2.273 . . . . 74.12 112.279 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.84 -4.03 35.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 74.42 111.049 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -164.19 104.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.324 -0.398 . . . . 71.22 110.916 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.5 mmm-85 -111.03 -169.54 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 74.13 110.904 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.612 ' O ' HG11 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -163.93 83.47 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 73.4 110.891 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.612 HG11 ' O ' ' A' ' 25' ' ' GLN . 1.0 OUTLIER 52.25 137.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 63.1 111.172 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.68 127.04 14.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 64.43 110.933 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -161.21 176.81 10.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 70.02 110.867 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.4 t -86.86 124.15 40.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 63.33 111.167 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -109.79 171.11 7.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 74.21 110.883 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.45 133.3 45.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.115 -0.493 . . . . 74.42 110.892 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.4 116.08 17.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 73.13 110.877 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -104.73 136.09 44.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 75.14 110.902 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.6 mm -111.43 90.38 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 73.2 111.124 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 40' ' ' VAL . 30.1 p . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 73.35 111.108 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.401 ' HA ' ' HA ' ' A' ' 35' ' ' THR . 9.5 p . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.798 0.332 . . . . 74.42 111.186 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.6 m -125.19 -20.13 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 75.34 111.176 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.99 156.56 22.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 71.04 110.87 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -108.0 157.74 17.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 75.53 110.862 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.44 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -144.62 142.13 29.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 75.24 110.984 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 30.0 t -129.66 141.57 46.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 64.32 111.111 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.7 tpp -101.82 109.71 21.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 72.43 110.893 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.17 86.89 7.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 72.4 110.904 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 mp -76.47 -9.35 58.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 74.54 110.889 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -83.15 -54.03 5.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 71.42 110.9 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.43 -5.79 59.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 70.51 110.857 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.1 t 67.46 44.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 74.43 111.177 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -148.67 166.94 26.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 74.13 110.886 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mp -116.9 139.05 51.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 71.22 110.94 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.2 m -137.06 163.3 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 72.4 111.102 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.44 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 0.6 OUTLIER -98.12 106.89 19.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 73.52 110.928 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.97 166.3 15.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 73.41 110.873 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.23 118.34 23.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 73.11 110.817 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -147.73 163.21 37.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 64.52 110.893 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.67 92.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 72.52 111.097 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.33 155.96 16.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 73.22 111.149 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -63.88 -17.06 62.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 63.55 110.927 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.51 124.53 12.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 72.13 111.129 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.6 m -100.23 128.17 46.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 73.24 111.14 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.44 104.88 8.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 72.11 110.841 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.454 ' O ' ' HG3' ' A' ' 66' ' ' MET . 0.3 OUTLIER -98.42 131.28 44.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 75.21 111.195 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.454 ' HG3' ' O ' ' A' ' 65' ' ' THR . 6.3 mtt -158.01 159.53 36.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 74.32 110.833 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.404 ' O ' ' HB ' ' A' ' 70' ' ' ILE . 50.0 mt-10 -92.19 158.43 16.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 74.44 110.91 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.07 -56.32 15.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.848 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.9 -36.83 63.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 74.02 110.864 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.404 ' HB ' ' O ' ' A' ' 67' ' ' GLU . 13.4 mm -61.78 -43.32 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 73.31 111.146 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -39.24 54.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 75.0 110.819 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -70.06 -31.52 69.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 72.11 110.828 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.36 -59.33 2.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 73.3 111.084 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 81.5 mt -70.31 -46.15 72.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.271 -0.422 . . . . 64.21 111.097 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.53 -37.22 32.71 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 64.3 112.508 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 59.9 p -90.36 -13.05 35.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.828 0.347 . . . . 74.33 111.099 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.86 27.24 54.15 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.673 -0.775 . . . . 73.41 112.516 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.67 -40.08 66.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.783 0.325 . . . . 75.45 111.086 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.8 mt -120.69 151.76 54.79 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.592 0.71 . . . . 75.14 110.904 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 129.28 17.37 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.631 2.221 . . . . 72.45 112.358 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.61 -28.52 69.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 54.35 111.104 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.18 -56.87 5.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 72.42 110.887 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.54 -44.23 96.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 73.2 110.9 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.03 -51.04 57.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 75.44 111.099 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.1 mtt -76.22 -26.49 56.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 72.33 110.872 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.08 -32.84 71.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 75.11 111.145 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -89.9 28.3 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 74.04 110.902 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.1 t0 47.44 27.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 75.42 110.886 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.07 3.03 44.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 64.21 110.88 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.06 149.16 25.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 74.15 110.917 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -119.01 108.51 14.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 74.14 110.862 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.1 m -127.37 139.63 51.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 74.54 111.114 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -131.02 112.99 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 71.54 110.869 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.61 167.74 27.73 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.692 -0.766 . . . . 73.23 112.48 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -54.7 119.25 5.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.869 0.366 . . . . 74.11 110.882 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.0 t -42.47 -38.77 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 74.34 111.088 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -63.26 -49.96 72.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 74.25 110.92 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 80.5 mt -48.3 -55.05 11.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.102 -0.499 . . . . 75.13 110.889 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.9 pp -71.04 -20.05 21.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 70.21 111.127 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -83.52 -13.46 54.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 75.32 110.864 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.26 -37.31 61.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 65.23 110.907 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.4 mp -86.95 -3.4 59.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 74.32 110.968 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.625 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 7.7 mt-10 -63.73 -52.31 59.11 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.583 0.706 . . . . 72.44 110.869 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.625 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.0 Cg_endo -69.82 -6.63 19.08 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.654 2.236 . . . . 73.23 112.314 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -93.67 -17.23 23.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 74.43 110.829 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.7 mt -56.02 -41.47 68.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 75.54 111.175 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.0 99.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 64.22 111.127 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.451 . . . . 72.33 110.838 -179.757 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.807 0.337 . . . . 74.23 110.97 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 p -45.04 -30.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 70.22 110.852 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -54.03 -50.95 65.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 71.01 110.904 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.57 -37.21 48.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 65.44 110.936 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.6 t -61.99 -54.34 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 74.3 111.103 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -48.08 -44.91 32.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 72.03 110.893 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.66 -46.07 87.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 71.4 111.12 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -53.83 40.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.924 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.6 mt -55.5 -48.21 77.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 74.53 111.165 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.472 ' O ' ' HG3' ' A' ' 17' ' ' GLU . . . -60.9 -55.21 35.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 70.53 111.156 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -55.72 -30.08 60.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.869 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.24 -36.56 54.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 75.52 110.861 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.64 -19.13 62.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 72.43 110.9 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 13' ' ' ALA . 35.3 mt-10 -87.03 -9.76 54.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 73.03 110.899 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.2 t -74.08 -42.98 59.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 72.22 110.819 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.0 mp -47.75 104.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 72.51 111.163 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.21 144.64 91.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 72.22 110.873 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 -11.87 31.78 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.776 2.317 . . . . 74.12 112.354 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.25 -4.83 52.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 74.42 111.132 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -173.09 104.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 71.22 110.916 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.0 mmm-85 -108.65 178.53 4.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 74.13 110.894 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -108.3 -83.06 0.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 73.4 110.973 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.1 p -131.45 118.9 41.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 63.1 111.14 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -102.86 125.93 49.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.217 -0.447 . . . . 64.43 110.893 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.73 179.19 3.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 70.02 110.856 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.0 t -101.31 121.74 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 63.33 111.084 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -107.29 161.58 14.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 74.21 110.891 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -126.78 138.46 53.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.887 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.406 ' O ' ' N ' ' A' ' 44' ' ' TRP . 0.3 OUTLIER -136.51 120.78 17.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 73.13 110.841 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -118.49 140.12 50.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 75.14 110.923 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.8 mm -114.29 90.51 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 73.2 111.179 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.9 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 73.35 111.121 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.894 0.378 . . . . 74.42 111.104 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.2 m -125.58 -5.19 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 75.34 111.152 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.65 165.11 16.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 71.04 110.899 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -126.43 149.84 49.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 75.53 110.898 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.489 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -137.74 146.47 43.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.168 -0.469 . . . . 75.24 110.961 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.2 t -137.87 135.05 45.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 64.32 111.121 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.8 ttm -100.48 113.85 26.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 72.43 110.911 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.36 85.02 5.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 72.4 110.863 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.7 mt -80.31 -9.38 59.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 74.54 110.901 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.51 -47.32 17.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 71.42 110.841 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.7 -3.12 46.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 70.51 110.858 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 t 69.11 48.71 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 74.43 111.133 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -148.79 164.63 33.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 74.13 110.907 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.97 139.82 51.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 71.22 110.953 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.3 m -140.51 166.77 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.454 . . . . 72.4 111.153 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.489 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.8 pm0 -105.5 108.17 19.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 73.52 110.857 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.83 169.54 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 73.41 110.854 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.67 115.19 17.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 73.11 110.838 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -156.74 171.95 19.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 64.52 110.87 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.3 150.3 1.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 72.52 111.083 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -170.89 145.12 2.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 73.22 111.113 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -64.35 -14.78 58.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 63.55 110.835 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -143.27 150.98 40.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 72.13 111.095 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.8 m -140.81 136.42 32.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 73.24 111.133 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 mp -129.1 104.56 7.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 72.11 110.92 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.435 ' C ' ' HG3' ' A' ' 66' ' ' MET . 38.3 m -112.17 139.88 47.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 75.21 111.136 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.435 ' HG3' ' C ' ' A' ' 65' ' ' THR . 0.0 OUTLIER 177.35 -174.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 74.32 110.894 179.817 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -80.21 160.04 25.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 74.44 110.891 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.46 -44.83 93.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 75.34 110.951 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -49.84 -24.23 2.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 74.02 110.832 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 19.9 mm -70.36 -23.64 24.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.186 -0.461 . . . . 73.31 111.112 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 28.2 tpp -61.83 -50.74 71.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 75.0 110.927 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.486 ' C ' ' CD1' ' A' ' 72' ' ' PHE . 4.2 p90 -74.4 -28.0 60.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 72.11 110.88 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.66 -59.29 3.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 73.3 111.123 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.9 mt -79.16 -39.95 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 64.21 111.17 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.25 -40.97 38.45 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 64.3 112.465 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 72.4 p -86.28 -11.71 51.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.75 0.31 . . . . 74.33 111.107 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.49 23.59 67.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.764 -0.731 . . . . 73.41 112.476 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.84 -44.2 73.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 75.45 111.089 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.1 mt -118.14 149.87 46.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.683 0.754 . . . . 75.14 110.842 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 131.08 20.46 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.634 2.222 . . . . 72.45 112.336 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.41 -28.24 69.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.419 . . . . 54.35 111.045 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -71.41 -56.98 4.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 72.42 110.912 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -63.06 -46.93 85.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.309 -0.405 . . . . 73.2 110.887 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.01 -52.53 41.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 75.44 111.058 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.9 mtm -72.57 -26.66 61.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.424 . . . . 72.33 110.866 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.13 -23.2 63.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 75.11 111.078 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -85.83 28.99 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 74.04 110.928 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 49.02 26.86 1.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.909 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.08 -59.41 2.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 64.21 110.889 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -99.83 152.75 19.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 74.15 110.844 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -124.91 109.55 13.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 74.14 110.883 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.6 p -118.6 142.4 33.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 74.54 111.111 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -133.44 112.6 11.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 71.54 110.849 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.06 167.85 27.33 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.695 -0.764 . . . . 73.23 112.445 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.54 116.55 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 74.11 110.925 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.5 t -42.09 -39.35 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 74.34 111.187 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.34 -47.97 74.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.25 110.881 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 55.0 mt -48.62 -54.52 14.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 75.13 110.945 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.8 pp -72.38 -28.79 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 70.21 111.086 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 93.9 t80 -70.52 -13.0 61.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 75.32 110.91 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.37 -35.5 58.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 65.23 110.895 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.3 mp -87.25 -6.67 58.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.883 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.605 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 8.3 mt-10 -63.12 -53.82 51.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.622 0.725 . . . . 72.44 110.87 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.605 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.9 Cg_endo -69.76 -6.95 19.82 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.648 2.232 . . . . 73.23 112.376 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -96.68 -17.79 20.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 74.43 110.896 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.4 mt -57.77 -40.91 78.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 75.54 111.108 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.17 -37.9 84.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 64.22 111.07 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 72.33 110.862 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.773 0.321 . . . . 74.23 110.895 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 p -45.02 -30.35 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 70.22 110.85 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.08 -50.62 66.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 71.01 110.866 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.21 -39.31 63.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 65.44 110.845 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -58.92 -58.67 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.3 111.121 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -48.83 -45.12 40.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 72.03 110.873 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.39 -43.59 98.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 71.4 111.114 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -58.49 -50.53 73.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 75.44 110.941 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.3 mt -55.84 -56.68 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.53 111.091 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.91 -52.71 48.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 70.53 111.129 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -54.76 -26.71 36.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.883 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.26 -33.48 59.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 75.52 110.93 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.0 mt -67.03 -21.84 65.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 72.43 110.928 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -53.96 -25.31 20.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 73.03 110.936 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.06 -23.85 41.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 72.22 110.845 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 88.6 mt -49.61 104.4 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 72.51 111.108 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.01 143.25 27.59 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.561 0.696 . . . . 72.22 110.858 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -14.9 36.59 Favored 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.728 2.285 . . . . 74.12 112.368 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.39 -7.08 51.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 74.42 111.13 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -173.44 103.98 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 71.22 110.88 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.73 175.42 6.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 74.13 110.848 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.48 -66.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 73.4 110.893 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 83.9 t -143.99 112.49 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 63.1 111.159 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -109.45 125.65 52.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 64.43 110.883 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -170.11 178.94 3.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 70.02 110.908 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.6 t -91.75 127.61 43.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 63.33 111.072 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -111.14 170.9 7.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.478 . . . . 74.21 110.928 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -134.86 132.28 38.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 74.42 110.895 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 44' ' ' TRP . 0.1 OUTLIER -128.88 114.49 16.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 73.13 110.892 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -97.98 136.68 37.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 75.14 110.838 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.9 mm -115.47 106.73 21.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 73.2 111.141 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 40' ' ' VAL . 6.0 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 73.35 111.131 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.427 ' HA ' ' HA ' ' A' ' 35' ' ' THR . 7.6 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.842 0.354 . . . . 74.42 111.133 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.3 p -94.45 -31.94 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 75.34 111.103 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.41 151.12 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 71.04 110.921 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -95.08 158.98 15.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 75.53 110.875 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' PHE . 0.6 OUTLIER -138.15 149.86 46.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 75.24 110.923 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.9 t -130.36 141.2 46.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.413 . . . . 64.32 111.147 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -104.93 103.73 13.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 72.43 110.881 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -83.04 89.54 6.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 72.4 110.825 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.9 mp -77.33 -7.5 56.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 74.54 110.907 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -84.11 -55.75 4.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 71.42 110.886 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -84.71 -9.5 58.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 70.51 110.872 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.2 t 67.62 44.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 74.43 111.122 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -148.52 133.34 17.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.906 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.4 mp -84.57 137.17 33.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 71.22 110.949 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.9 m -138.13 163.83 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 72.4 111.104 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.414 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.7 pm0 -101.58 108.9 20.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 73.52 110.909 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.83 166.26 15.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 73.41 110.789 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.89 117.7 23.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 73.11 110.899 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.39 164.22 36.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 64.52 110.892 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.54 91.5 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 72.52 111.128 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.39 151.3 19.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 73.22 111.133 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.15 -18.38 64.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 63.55 110.912 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.93 124.34 13.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.153 -0.476 . . . . 72.13 111.165 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 31.9 m -103.34 128.18 50.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 73.24 111.129 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mp -124.51 104.81 8.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 72.11 110.945 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 m -96.64 130.22 43.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 75.21 111.087 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 31.3 mtt -157.88 158.4 35.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.32 110.869 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -93.21 161.85 14.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 74.44 110.84 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.5 -58.82 4.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 75.34 110.899 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.11 -42.58 60.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.217 -0.447 . . . . 74.02 110.863 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 18.6 mm -58.01 -39.57 72.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 73.31 111.115 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.8 mmt -58.95 -44.23 91.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 75.0 110.807 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -73.06 -30.47 63.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 72.11 110.83 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.19 -59.5 2.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 73.3 111.098 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.8 mt -71.49 -43.77 71.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 64.21 111.165 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -51.42 -35.3 35.77 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 64.3 112.501 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 81.3 p -89.3 -15.09 34.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.822 0.344 . . . . 74.33 111.084 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.34 25.51 56.94 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 73.41 112.525 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.34 -41.09 49.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 75.45 111.136 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.3 mt -118.85 152.79 52.08 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.637 0.732 . . . . 75.14 110.863 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 123.41 10.09 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.675 2.25 . . . . 72.45 112.329 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.32 -31.56 72.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 54.35 111.16 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp -67.86 -54.53 18.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 72.42 110.901 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -59.11 -44.49 91.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 73.2 110.861 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.9 -50.47 57.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 75.44 111.06 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.9 mtt -76.79 -26.6 54.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 72.33 110.946 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.46 -31.43 70.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 75.11 111.095 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -89.01 28.34 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 74.04 110.92 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 48.06 27.65 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 75.42 110.866 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -87.49 2.24 51.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 64.21 110.862 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -159.29 153.07 23.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 74.15 110.914 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -122.55 108.45 13.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 74.14 110.876 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 70.3 t -119.8 140.12 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 74.54 111.117 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -133.15 113.22 12.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 71.54 110.846 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.68 167.84 27.96 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 73.23 112.534 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.47 115.27 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 74.11 110.917 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.6 t -43.03 -43.72 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 74.34 111.14 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -49.48 76.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 74.25 110.896 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 77.8 mt -48.4 -54.12 15.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 75.13 110.888 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 41.1 pt -69.95 -23.12 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 70.21 111.195 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -79.5 -15.78 57.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 75.32 110.868 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.6 mt -76.19 -38.68 56.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 65.23 110.88 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.5 mp -84.04 -7.08 59.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 74.32 110.935 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.611 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 8.5 mt-10 -62.47 -53.28 58.97 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.66 0.743 . . . . 72.44 110.857 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.611 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.4 Cg_endo -69.69 -7.68 21.66 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.701 2.267 . . . . 73.23 112.293 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -98.85 -17.02 18.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.286 -0.416 . . . . 74.43 110.923 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 49.0 mt -49.31 -41.82 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 75.54 111.094 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.6 -40.68 84.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 64.22 111.115 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 72.33 110.851 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.847 0.356 . . . . 74.23 110.902 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.415 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -44.73 -32.05 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 70.22 110.817 -179.876 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -54.27 -49.6 69.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 71.01 110.924 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -52.03 -37.3 53.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 65.44 110.875 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.415 ' HB ' ' O ' ' A' ' 5' ' ' SER . 95.7 t -52.41 -60.11 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 74.3 111.172 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -49.64 -44.26 47.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 72.03 110.903 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.31 -42.0 98.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 71.4 111.11 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -60.24 -53.71 54.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 75.44 110.907 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.7 mt -54.45 -54.99 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 74.53 111.182 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.72 -52.26 63.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 70.53 111.066 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -54.12 -30.23 48.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 74.23 110.899 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.28 -33.89 65.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 75.52 110.931 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.4 mt -67.47 -20.79 65.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 72.43 110.863 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -56.88 -24.03 48.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 73.03 110.868 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 m -81.16 -18.26 46.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 72.22 110.877 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 89.5 mt -50.31 104.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 72.51 111.15 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.09 143.93 29.75 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.61 0.719 . . . . 72.22 110.861 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -14.39 36.16 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.75 2.3 . . . . 74.12 112.311 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.77 -7.29 52.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 74.42 111.101 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -174.52 104.41 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 71.22 110.83 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.57 177.12 6.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.777 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -119.28 -40.85 2.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 73.4 110.923 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 p -176.85 131.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 63.1 111.118 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -110.36 125.16 52.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 64.43 110.838 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -170.68 179.09 3.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 70.02 110.801 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.3 t -100.84 133.38 44.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.222 -0.445 . . . . 63.33 111.138 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -121.36 160.51 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.923 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -127.28 135.36 50.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 74.42 110.966 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.85 122.49 36.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 73.13 110.83 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -107.14 130.7 54.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 75.14 110.915 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.5 mm -111.01 90.41 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 73.2 111.09 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.42 HG22 ' HA ' ' A' ' 40' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 73.35 111.158 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.42 ' HA ' HG22 ' A' ' 35' ' ' THR . 7.4 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.848 0.356 . . . . 74.42 111.203 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 m -125.62 -33.24 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 75.34 111.053 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.56 158.54 37.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 71.04 110.859 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.86 151.03 39.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 75.53 110.886 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.401 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -135.56 149.02 49.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 75.24 110.907 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.5 143.44 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 64.32 111.133 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.24 100.35 11.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.862 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.46 80.86 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 72.4 110.905 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.0 mp -72.63 -11.67 60.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 74.54 110.945 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.8 -52.82 6.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 71.42 110.962 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -84.5 -6.4 59.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 70.51 110.837 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.4 t 68.99 46.23 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 74.43 111.136 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.86 166.88 27.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 74.13 110.854 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.9 mp -124.23 104.89 9.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 71.22 110.947 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 m -103.45 174.57 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 72.4 111.136 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.401 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.4 pm0 -106.97 110.75 22.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 73.52 110.916 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.04 165.69 11.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 73.41 110.805 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.66 115.67 22.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.499 . . . . 73.11 110.887 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -155.53 168.06 28.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 64.52 110.898 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.43 159.23 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 72.52 111.087 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -169.01 142.37 2.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 73.22 111.126 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.56 -23.54 67.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 63.55 110.924 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -140.05 124.15 17.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 72.13 111.048 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 83.2 m -103.57 128.48 50.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 73.24 111.101 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.31 119.0 27.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 72.11 110.879 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.51 130.76 56.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 75.21 111.136 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 4.1 mtm -154.02 140.7 18.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 74.32 110.884 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -74.02 154.05 39.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.9 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.95 -53.65 18.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 75.34 110.904 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.4 ' O ' ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -50.65 -30.04 12.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 74.02 110.894 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 19.1 mm -83.42 -23.13 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 73.31 111.141 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.6 ttp -60.05 -51.27 70.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 75.0 110.955 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.484 ' C ' ' CD1' ' A' ' 72' ' ' PHE . 3.3 p90 -72.17 -28.68 63.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 72.11 110.933 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.96 -59.72 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 73.3 111.105 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 57.9 mt -72.18 -40.61 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 64.21 111.17 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.55 -39.28 53.18 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.757 -0.735 . . . . 64.3 112.398 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 71.3 p -94.42 7.53 45.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 74.33 111.206 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 58.48 29.66 63.93 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.747 -0.74 . . . . 73.41 112.522 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.19 -40.31 68.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.768 0.318 . . . . 75.45 111.064 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 25.6 mt -118.62 155.57 52.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.51 0.671 . . . . 75.14 110.969 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 123.11 9.77 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.685 2.257 . . . . 72.45 112.31 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.14 -32.05 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 54.35 111.102 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -69.31 -57.2 5.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 72.42 110.913 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.55 -43.58 84.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 73.2 110.921 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.06 -51.12 56.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 75.44 111.094 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.5 mtt -75.85 -26.8 57.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 72.33 110.886 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.18 -32.07 70.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 75.11 111.119 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -90.09 27.67 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 74.04 110.853 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 46.48 29.83 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 75.42 110.861 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.83 10.07 36.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 64.21 110.944 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 1.6 mtm -154.39 144.6 22.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 74.15 110.868 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -119.97 108.7 14.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.887 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.8 p -128.58 141.13 47.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 74.54 111.171 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -131.59 113.48 13.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 71.54 110.836 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.9 167.92 28.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 73.23 112.488 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -54.26 118.51 4.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.348 . . . . 74.11 110.957 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.41 ' O ' HG13 ' A' ' 99' ' ' ILE . 79.9 t -42.55 -42.61 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 74.34 111.155 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -62.98 -48.72 77.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 74.25 110.925 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 79.1 mt -48.7 -54.82 13.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 75.13 110.963 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 96' ' ' VAL . 2.8 pp -72.34 -27.11 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 70.21 111.191 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -72.64 -15.11 61.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 75.32 110.862 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 22.1 mt -75.72 -34.02 60.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 65.23 110.899 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.5 mp -84.64 -8.59 58.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.926 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.618 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 23.1 mt-10 -63.07 -53.11 57.73 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.677 0.751 . . . . 72.44 110.945 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.618 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.7 Cg_endo -69.74 -7.75 21.85 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 73.23 112.413 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -97.73 -17.23 19.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.874 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 24.2 mt -51.9 -45.58 39.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 75.54 111.13 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.74 -35.87 77.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 64.22 111.134 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 72.33 110.884 -179.837 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.816 0.341 . . . . 74.23 110.892 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.0 p -44.3 -31.25 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 70.22 110.881 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -54.08 -50.54 66.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.127 -0.488 . . . . 71.01 110.892 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.69 -39.2 61.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 65.44 110.941 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.9 t -56.94 -59.69 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 74.3 111.087 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -48.92 -45.4 41.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 72.03 110.874 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.13 -48.98 79.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 71.4 111.145 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.44 -50.57 64.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 75.44 110.929 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.444 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 12.6 mt -57.75 -56.36 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 74.53 111.132 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.46 -54.88 26.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 70.53 111.068 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -27.19 52.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 74.23 110.899 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.85 -35.95 57.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 75.52 110.852 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 12' ' ' ILE . 61.3 mt -64.59 -22.62 67.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 72.43 110.905 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -54.22 -26.17 27.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 73.03 110.917 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.97 -21.15 57.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 72.22 110.92 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 83.6 mt -48.58 104.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 72.51 111.186 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.66 144.14 30.0 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.551 0.691 . . . . 72.22 110.868 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.74 -11.11 30.19 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.686 2.258 . . . . 74.12 112.37 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.58 -12.61 60.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 74.42 111.058 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -172.08 117.09 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 71.22 110.902 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.01 -179.77 5.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 74.13 110.85 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -125.27 -40.28 2.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 73.4 110.959 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.426 ' O ' ' CG1' ' A' ' 26' ' ' VAL . 5.2 p -176.11 123.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 63.1 111.079 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -106.87 125.86 51.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.119 -0.491 . . . . 64.43 110.882 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.2 p-80 -170.23 179.1 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 70.02 110.849 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.3 t -95.38 135.84 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 63.33 111.092 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -118.12 165.72 13.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 74.21 110.962 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -139.25 135.88 34.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.904 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.56 127.33 42.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.896 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -106.55 139.27 41.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 75.14 110.863 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.2 mm -121.13 130.16 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 73.2 111.135 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.6 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 73.35 111.09 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.832 0.349 . . . . 74.42 111.157 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.0 p -87.8 -33.31 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 75.34 111.155 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.2 145.97 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 71.04 110.873 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -86.73 161.72 18.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 75.53 110.922 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -143.41 150.17 38.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 75.24 110.883 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.9 p -134.14 143.15 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 64.32 111.166 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -99.12 107.62 20.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 72.43 110.864 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -83.91 86.32 7.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 72.4 110.885 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.8 mp -73.42 -7.31 51.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 74.54 111.0 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -84.08 -54.72 4.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 71.42 110.882 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.11 -9.11 58.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 70.51 110.941 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.9 t 67.13 43.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 74.43 111.187 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.2 tptm -149.85 134.83 17.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 74.13 110.88 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.1 mp -84.48 137.38 33.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 71.22 110.934 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 m -137.22 166.76 24.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.24 -0.437 . . . . 72.4 111.078 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.43 107.43 18.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 73.52 110.897 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.54 164.18 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 73.41 110.831 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.73 116.71 27.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 73.11 110.887 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.27 157.76 43.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 64.52 110.901 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.9 92.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 72.52 111.128 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.1 149.17 21.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 73.22 111.048 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.37 -23.24 67.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.476 . . . . 63.55 110.888 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -140.63 124.36 17.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 72.13 111.106 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 82.6 m -103.84 129.34 51.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 73.24 111.11 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.08 112.37 15.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 72.11 110.956 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -101.27 131.57 47.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 75.21 111.147 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.403 ' HG3' ' HG2' ' A' ' 90' ' ' MET . 0.3 OUTLIER -157.99 156.81 31.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.299 -0.41 . . . . 74.32 110.885 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -89.01 162.82 15.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 74.44 110.91 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.37 -58.2 5.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 75.34 110.826 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.89 -43.36 59.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 74.02 110.868 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.0 mm -55.22 -47.05 78.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 73.31 111.159 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.49 -43.46 62.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 75.0 110.891 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -70.18 -30.84 68.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 72.11 110.899 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.73 -59.93 2.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 73.3 111.017 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 52.0 mt -69.95 -44.2 78.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 64.21 111.1 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.29 -37.78 48.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 64.3 112.5 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 43.1 p -92.67 -2.14 56.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.838 0.352 . . . . 74.33 111.137 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.79 29.63 73.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.771 -0.728 . . . . 73.41 112.492 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.42 -41.34 27.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.888 0.375 . . . . 75.45 111.073 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.7 mt -117.12 152.56 49.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.621 0.725 . . . . 75.14 110.967 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 120.92 7.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.661 2.241 . . . . 72.45 112.318 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.92 83.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 54.35 111.074 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.12 -56.9 10.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 72.42 110.897 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -44.86 82.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 73.2 110.902 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.35 -50.23 51.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 75.44 111.095 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 7.2 mtt -77.12 -26.6 53.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 72.33 110.89 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.64 -32.54 70.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 75.11 111.078 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -86.72 27.99 0.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 74.04 110.942 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 46.17 28.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 75.42 110.893 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -90.39 5.57 46.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 64.21 110.844 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.403 ' HG2' ' HG3' ' A' ' 66' ' ' MET . 1.1 mpp? -160.29 153.92 22.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 74.15 110.829 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -122.68 108.49 13.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 74.14 110.863 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.0 p -119.38 140.51 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 74.54 111.142 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -131.38 114.24 14.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 71.54 110.9 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.67 167.61 28.59 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.732 -0.747 . . . . 73.23 112.516 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.76 117.92 3.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 74.11 110.884 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 67.9 t -43.65 -51.0 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 74.34 111.195 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -58.27 -49.79 75.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 74.25 110.945 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -48.45 -54.06 15.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 75.13 110.902 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.6 pt -71.29 -20.87 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 70.21 111.165 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -79.78 -13.74 59.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 75.32 110.838 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -75.87 -32.56 59.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 65.23 110.874 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.0 mp -88.39 -5.74 58.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 74.32 110.905 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.564 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 15.9 mt-10 -67.27 -55.68 14.87 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.624 0.726 . . . . 72.44 110.939 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.1 Cg_endo -69.81 -6.26 18.19 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.622 2.215 . . . . 73.23 112.323 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -98.46 -18.06 18.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 74.43 110.859 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.2 mt -53.09 -27.63 13.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 75.54 111.163 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.29 -43.49 94.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 64.22 111.113 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 72.33 110.874 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.769 0.319 . . . . 74.23 110.838 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.44 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 15.0 p -44.78 -27.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 70.22 110.824 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -53.67 -47.43 70.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 71.01 110.85 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -52.74 -38.42 60.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 65.44 110.901 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.44 ' HB ' ' O ' ' A' ' 5' ' ' SER . 67.4 t -50.01 -61.73 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 74.3 111.091 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -50.82 -43.02 58.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 72.03 110.861 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.88 -44.54 96.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 71.4 111.16 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -56.83 -50.12 73.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.93 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.1 mt -57.54 -49.19 81.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 74.53 111.125 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.49 -53.91 52.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 70.53 111.108 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -52.58 -25.34 10.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 74.23 110.933 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -77.73 -30.77 51.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 75.52 110.845 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.8 mt -71.3 -18.85 62.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 72.43 110.948 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -57.32 -20.64 29.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 73.03 110.924 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 t -91.89 -19.54 22.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 72.22 110.91 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 74.4 mt -51.6 104.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 72.51 111.09 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.81 143.15 28.06 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.594 0.711 . . . . 72.22 110.881 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -16.31 37.55 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 74.12 112.296 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.98 -5.59 44.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.298 -0.41 . . . . 74.42 111.171 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -177.64 104.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 71.22 110.874 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.478 ' HA ' ' CZ ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -117.46 -177.37 3.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 74.13 110.952 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.99 -37.04 2.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 73.4 110.927 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.6 p -176.82 126.36 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 63.1 111.125 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -110.97 124.68 52.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 64.43 110.917 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -170.94 175.19 4.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 70.02 110.81 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.9 t -104.0 129.91 55.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 63.33 111.095 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -122.11 145.6 48.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.87 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -106.9 143.69 34.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 74.42 110.895 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.4 125.96 33.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 73.13 110.887 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.61 140.08 45.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 75.14 110.885 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.5 mm -116.86 90.59 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 73.2 111.136 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.3 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 73.35 111.139 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.1 t . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.873 0.368 . . . . 74.42 111.13 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.1 m -124.93 -21.37 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 75.34 111.155 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.26 152.78 17.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 71.04 110.917 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -107.43 154.4 21.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 75.53 110.845 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.461 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -144.46 150.91 38.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 75.24 110.915 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 p -141.83 140.73 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 64.32 111.098 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.8 ttm -99.31 118.63 36.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 72.43 110.886 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -96.13 89.95 5.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 72.4 110.904 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.4 mt -75.84 -1.65 26.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 74.54 110.941 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.3 mtpt -84.93 -56.01 3.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 71.42 110.894 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -84.69 -8.03 59.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 70.51 110.903 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.2 t 69.06 43.53 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 74.43 111.134 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -149.6 144.72 26.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.891 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.5 mp -92.06 140.36 29.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 71.22 110.862 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 m -140.72 165.1 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 72.4 111.133 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.461 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 4.6 pm0 -102.14 104.21 14.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 73.52 110.878 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.68 162.41 14.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 73.41 110.826 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -122.11 117.4 26.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 73.11 110.851 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -143.53 159.63 42.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 64.52 110.867 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.52 91.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 72.52 111.07 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.08 149.98 21.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 73.22 111.1 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.97 -15.89 60.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 63.55 110.883 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.78 124.45 11.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 72.13 111.117 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.2 m -106.23 131.72 53.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 73.24 111.123 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 mp -129.21 118.24 22.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 72.11 110.908 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.5 m -107.58 134.85 49.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 75.21 111.152 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.407 ' HG3' ' HG2' ' A' ' 90' ' ' MET . 0.0 OUTLIER -160.07 158.12 29.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 74.32 110.889 179.905 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -93.05 161.68 14.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.415 . . . . 74.44 110.856 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.14 -59.01 4.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 75.34 110.921 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.91 -39.87 55.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 74.02 110.896 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.7 mm -63.65 -42.28 95.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 73.31 111.091 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -43.21 61.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 75.0 110.832 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.412 ' HA ' ' CG2' ' A' ' 8' ' ' VAL . 91.2 t80 -69.33 -30.73 68.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 72.11 110.878 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.44 -59.54 2.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 73.3 111.14 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.3 mt -71.85 -36.05 56.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 64.21 111.128 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -48.88 -41.71 28.62 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 64.3 112.457 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.2 t -102.07 11.51 38.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.835 0.35 . . . . 74.33 111.139 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.01 30.11 66.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.76 -0.733 . . . . 73.41 112.448 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.59 -41.55 68.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.338 . . . . 75.45 111.045 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.6 mt -115.16 156.03 45.98 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.662 0.744 . . . . 75.14 110.908 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 109.25 2.27 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.683 2.256 . . . . 72.45 112.302 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.73 -39.48 71.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 54.35 111.098 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -49.63 76.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 72.42 110.894 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.17 -45.71 90.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.46 . . . . 73.2 110.881 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.97 -51.15 55.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 75.44 111.159 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.5 mtt -75.76 -26.67 57.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 72.33 110.847 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.07 -30.69 71.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 75.11 111.068 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -87.94 28.53 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 74.04 110.881 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 48.53 26.59 1.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.415 . . . . 75.42 110.844 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -86.92 1.31 53.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 64.21 110.88 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.407 ' HG2' ' HG3' ' A' ' 66' ' ' MET . 1.2 mpp? -160.17 153.72 22.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 74.15 110.858 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -123.11 108.46 12.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 74.14 110.906 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.3 m -118.01 140.3 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 74.54 111.101 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -131.14 113.16 13.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 71.54 110.895 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.6 168.09 28.26 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.695 -0.764 . . . . 73.23 112.461 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.11 116.05 2.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 74.11 110.949 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 97.4 t -43.05 -42.54 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.34 111.113 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.52 -47.69 82.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 74.25 110.911 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -48.31 -54.14 14.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 75.13 110.91 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 15.7 pt -68.51 -15.87 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 70.21 111.103 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -87.99 -11.92 45.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 75.32 110.873 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.4 mt -74.74 -39.6 61.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 65.23 110.894 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.9 mp -87.04 -3.32 59.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.92 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.595 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 5.1 mt-10 -64.04 -54.26 41.6 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.608 0.718 . . . . 72.44 110.843 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 54.1 Cg_endo -69.71 -7.03 19.99 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.734 2.289 . . . . 73.23 112.363 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -96.0 -16.43 21.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 74.43 110.889 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 18.5 mt -57.35 -39.68 69.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 75.54 111.11 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.59 -38.49 90.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 64.22 111.051 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.2 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 72.33 110.865 -179.769 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.761 0.315 . . . . 74.23 110.927 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.5 p -45.2 -26.98 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 70.22 110.916 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -53.6 -47.79 69.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 71.01 110.857 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -52.15 -38.72 58.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 65.44 110.933 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -54.93 -60.81 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 74.3 111.154 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -50.67 -44.79 57.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 72.03 110.901 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.71 -44.83 95.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 71.4 111.094 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.69 -49.05 76.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 75.44 110.986 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.6 mt -55.38 -49.64 71.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 74.53 111.139 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.18 -51.95 67.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 70.53 111.153 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -54.37 -26.74 31.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.937 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -76.39 -33.73 58.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 75.52 110.911 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.2 mt -67.35 -23.56 65.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 72.43 110.89 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -56.98 -24.37 52.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 73.03 110.909 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.96 -19.62 40.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.082 -0.508 . . . . 72.22 110.881 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.4 mt -50.13 104.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 72.51 111.138 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.68 145.72 33.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.559 0.695 . . . . 72.22 110.944 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -11.61 31.21 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.671 2.247 . . . . 74.12 112.382 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.9 -10.04 59.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.232 -0.44 . . . . 74.42 111.077 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -174.55 104.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 71.22 110.88 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.514 ' HA ' ' CZ ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -116.28 -167.82 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.13 110.856 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -170.57 90.98 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 73.4 110.883 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 31.6 t 64.17 112.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 63.1 111.125 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -120.48 126.91 51.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 64.43 110.871 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -168.85 175.47 5.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 70.02 110.858 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.3 t -87.03 140.77 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 63.33 111.083 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -126.53 139.86 52.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 74.21 110.933 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.44 139.61 41.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 74.42 110.826 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.07 117.65 21.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 73.13 110.86 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -104.38 131.8 51.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.875 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.8 mm -110.92 90.63 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 73.2 111.105 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.5 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 73.35 111.213 179.958 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.928 0.394 . . . . 74.42 111.035 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 m -123.26 -23.67 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 75.34 111.205 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.47 154.36 26.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 71.04 110.939 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -109.6 159.29 17.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 75.53 110.862 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.483 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -143.5 138.77 29.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.485 . . . . 75.24 110.896 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.3 t -120.21 142.98 33.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 64.32 111.152 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.7 tpp -100.84 96.65 7.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 72.43 110.894 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.46 84.58 3.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 72.4 110.812 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.1 mp -78.82 -8.33 58.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 74.54 110.892 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -83.71 -55.92 4.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 71.42 110.88 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -85.75 -3.86 59.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 70.51 110.877 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.7 t 69.44 49.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 74.43 111.136 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -147.84 171.53 15.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 74.13 110.879 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.4 mp -131.57 100.12 5.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 71.22 110.988 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -98.17 178.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 72.4 111.125 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 11.0 pm0 -109.71 113.52 26.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 73.52 110.879 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.5 167.14 13.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.889 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.9 117.65 23.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 73.11 110.895 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -150.74 164.1 36.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 64.52 110.856 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.64 92.46 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 72.52 111.038 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.24 157.8 16.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 73.22 111.169 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -63.97 -25.17 68.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 63.55 110.905 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.33 123.98 19.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 72.13 111.074 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 54.7 m -100.35 125.27 46.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 73.24 111.136 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.1 mp -124.49 105.89 9.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 72.11 110.951 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -100.35 129.59 46.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 75.21 111.163 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.35 148.73 21.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.951 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -83.94 166.12 18.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 74.44 110.87 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.08 -57.07 10.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 75.34 110.905 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -51.22 -36.44 41.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 74.02 110.812 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.2 mm -67.13 -35.38 74.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 73.31 111.118 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.27 -46.73 82.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 75.0 110.922 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -73.45 -30.38 63.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 72.11 110.883 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.47 -59.36 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 73.3 111.109 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 59.5 mt -73.4 -46.27 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 64.21 111.149 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -48.61 -35.93 17.29 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.725 -0.75 . . . . 64.3 112.484 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 66.6 p -88.26 -21.96 24.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 74.33 111.205 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.97 31.87 16.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 73.41 112.516 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.47 -39.97 21.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.339 . . . . 75.45 111.12 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.1 mt -119.19 154.78 53.79 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.577 0.703 . . . . 75.14 110.918 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 121.82 8.51 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.71 2.274 . . . . 72.45 112.355 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.87 -25.69 68.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 54.35 111.074 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -71.16 -51.32 25.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 72.42 110.908 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.58 -45.07 95.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 73.2 110.816 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.66 -51.05 52.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 75.44 111.059 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 10.6 mtm -76.67 -26.47 54.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 72.33 110.878 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.33 -31.75 70.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 75.11 111.132 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -90.68 27.87 1.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 74.04 110.924 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 48.46 28.72 1.79 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 75.42 110.836 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.42 2.05 51.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 64.21 110.918 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -154.35 149.42 26.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 74.15 110.801 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -123.91 108.13 12.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 74.14 110.947 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.6 m -125.42 144.04 36.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 74.54 111.168 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -132.96 113.2 12.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 71.54 110.82 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.14 168.23 29.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 73.23 112.494 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.51 114.8 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.861 0.362 . . . . 74.11 110.921 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 40.7 t -44.05 -43.51 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 74.34 111.106 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -55.89 -50.17 71.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 74.25 110.89 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 70.7 mt -48.1 -53.47 16.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 75.13 110.882 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 36.1 pt -72.45 -20.75 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 70.21 111.115 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -81.57 -18.8 43.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 75.32 110.864 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.0 mt -76.19 -32.59 59.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 65.23 110.978 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.2 mp -86.67 -7.74 58.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 74.32 110.928 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.648 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 16.5 mt-10 -63.61 -51.17 68.26 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.65 0.738 . . . . 72.44 110.92 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.648 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.8 Cg_endo -69.73 -8.63 24.1 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.725 2.283 . . . . 73.23 112.335 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -101.05 -15.68 17.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 74.43 110.91 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.9 mm -44.33 -53.25 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 75.54 111.112 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -70.91 -47.83 56.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 64.22 111.082 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 72.33 110.831 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.822 0.344 . . . . 74.23 110.933 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 p -44.36 -31.8 1.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 70.22 110.891 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.97 -50.48 66.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.51 . . . . 71.01 110.9 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -52.01 -38.41 56.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 65.44 110.857 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.3 t -51.92 -60.24 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 74.3 111.088 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -47.59 -43.02 25.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 72.03 110.839 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.22 -39.13 85.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 71.4 111.099 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -67.68 -53.6 26.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 75.44 110.906 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.2 mt -55.31 -38.96 49.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 74.53 111.188 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.02 -52.43 19.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 70.53 111.107 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -52.99 -30.42 35.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 74.23 110.871 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -33.07 69.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 75.52 110.849 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mt -65.29 -23.75 67.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 72.43 110.854 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -54.36 -21.81 10.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 73.03 110.872 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.11 -27.3 22.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 72.22 110.89 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 54.1 mt -47.55 104.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 72.51 111.106 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.36 144.36 28.84 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.65 0.738 . . . . 72.22 110.837 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -10.34 28.29 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 74.12 112.347 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.71 -10.43 59.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 74.42 111.115 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.25 103.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 71.22 110.853 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.46 ' HA ' ' CZ ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -118.44 177.03 4.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 74.13 110.856 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -113.06 -42.65 3.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 73.4 110.959 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 p -173.95 142.01 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 63.1 111.075 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -117.02 124.03 48.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 64.43 110.908 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -171.38 179.4 2.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 70.02 110.861 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.5 t -93.08 139.2 18.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 63.33 111.147 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 30' ' ' TYR . 6.6 t80 -128.33 136.24 50.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.942 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -117.12 142.48 46.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 74.42 110.915 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.03 152.55 38.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 73.13 110.901 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -126.12 127.06 45.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 75.14 110.928 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 40.3 mm -115.91 90.71 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 73.2 111.088 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 73.35 111.148 179.972 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 p . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.859 0.361 . . . . 74.42 111.174 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.6 m -124.54 -17.64 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 75.34 111.128 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.22 143.94 1.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 71.04 110.907 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.02 156.53 17.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 75.53 110.893 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -128.78 160.12 33.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.259 -0.428 . . . . 75.24 110.888 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.4 t -132.97 143.11 40.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 64.32 111.173 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.34 104.32 13.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 72.43 110.855 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -81.04 84.59 6.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 72.4 110.922 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.7 mt -78.53 -15.76 58.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.3 -0.409 . . . . 74.54 110.848 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -76.57 -46.14 27.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 71.42 110.938 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.57 -4.24 51.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 70.51 110.861 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.7 t 67.73 48.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.43 111.105 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -148.45 164.45 34.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 74.13 110.838 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.6 mp -121.08 130.88 53.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 71.22 110.896 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 m -135.23 171.68 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 72.4 111.16 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -108.02 114.23 27.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 73.52 110.843 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.67 166.99 13.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 73.41 110.799 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.1 117.4 23.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.063 -0.517 . . . . 73.11 110.89 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.06 164.27 38.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 64.52 110.958 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.41 91.39 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 72.52 111.097 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.51 149.97 20.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 73.22 111.126 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -22.06 66.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 63.55 110.889 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.59 124.01 19.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 72.13 111.12 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.6 m -110.66 123.36 49.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 73.24 111.165 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.87 122.1 42.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 72.11 110.923 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.5 m -106.19 126.14 51.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.251 -0.431 . . . . 75.21 111.129 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.401 ' HG3' ' HG2' ' A' ' 90' ' ' MET . 0.1 OUTLIER -155.42 144.74 20.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 74.32 110.838 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -78.88 160.44 27.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 74.44 110.924 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.5 -58.93 3.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.161 -0.472 . . . . 75.34 110.879 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.77 -34.37 27.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 74.02 110.891 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 12.0 mm -71.67 -42.4 71.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 73.31 111.125 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.3 tpt -52.78 -46.43 67.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 75.0 110.857 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -69.09 -30.43 68.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 72.11 110.866 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.09 -59.53 2.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 73.3 111.108 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 41.3 mt -67.38 -47.32 81.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 64.21 111.153 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.74 -37.62 34.97 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.746 -0.74 . . . . 64.3 112.522 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 65.7 p -90.51 -10.73 42.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 74.33 111.087 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.43 33.78 52.07 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.777 -0.725 . . . . 73.41 112.45 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.56 -39.62 17.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 75.45 111.082 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.0 mt -118.22 150.8 48.3 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 121.657 0.741 . . . . 75.14 110.899 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 122.6 9.3 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.616 2.21 . . . . 72.45 112.391 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.04 -27.02 68.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 54.35 111.114 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -53.73 13.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 72.42 110.909 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.6 -44.15 96.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 73.2 110.877 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.97 -51.0 56.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 75.44 111.068 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.1 mtm -76.85 -26.46 54.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 72.33 110.862 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.32 -31.18 70.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 75.11 111.053 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -89.19 28.41 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 74.04 110.928 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 46.66 28.55 0.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 75.42 110.906 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.63 4.42 51.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 64.21 110.926 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.401 ' HG2' ' HG3' ' A' ' 66' ' ' MET . 0.1 OUTLIER -160.63 147.98 15.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 74.15 110.901 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -121.44 108.37 13.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.797 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 90.1 t -111.78 143.05 22.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 74.54 111.17 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -131.63 113.27 13.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 71.54 110.841 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.77 167.37 27.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.779 -0.724 . . . . 73.23 112.542 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -56.33 120.98 8.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 74.11 110.902 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 87.9 t -43.12 -53.45 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 74.34 111.121 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.87 -49.18 76.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 74.25 110.871 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.1 mt -48.37 -54.04 15.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 75.13 110.916 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 30.8 pt -71.87 -23.8 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 70.21 111.113 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -75.26 -12.84 60.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.463 . . . . 75.32 110.877 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 44.2 mt -75.7 -32.43 60.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 65.23 110.925 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.1 mp -88.15 -7.73 56.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 74.32 110.885 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.673 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 18.1 mt-10 -64.65 -48.97 72.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.722 0.773 . . . . 72.44 110.913 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.673 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.6 Cg_endo -69.82 -8.0 22.51 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.662 2.241 . . . . 73.23 112.305 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -101.29 -17.07 16.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 74.43 110.918 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 30.7 mt -55.14 -53.14 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 75.54 111.081 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -94.01 24.35 4.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 64.22 111.044 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 72.33 110.892 -179.791 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.78 0.324 . . . . 64.21 110.914 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.89 130.74 37.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 72.42 110.849 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.01 178.0 5.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.495 . . . . 75.02 110.907 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.9 mmpt? -65.42 -58.95 4.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.875 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 m -46.07 -29.38 1.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 70.22 110.847 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.21 -49.95 68.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 71.01 110.857 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.53 -36.99 56.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 65.44 110.861 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.1 t -54.58 -59.78 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 74.3 111.131 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -50.21 -45.18 53.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 72.03 110.923 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.87 98.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 71.4 111.088 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -52.13 65.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.426 . . . . 75.44 110.868 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.3 mt -54.46 -51.97 44.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 74.53 111.134 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.09 -51.72 68.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 70.53 111.092 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.23 -33.47 65.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.863 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.26 -35.21 75.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 75.52 110.904 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.3 mt -60.99 -32.81 72.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 72.43 110.885 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -66.21 -15.93 63.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 73.03 110.887 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.66 -50.19 18.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 72.22 110.895 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.7 mp -47.76 104.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.493 . . . . 72.51 111.152 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.99 144.93 99.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.623 0.725 . . . . 72.22 110.894 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -15.25 36.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.256 . . . . 74.12 112.356 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.02 -2.28 39.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 74.42 111.11 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -168.54 104.62 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 71.22 110.882 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.7 mmm-85 -109.31 169.19 8.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 74.13 110.879 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -115.48 -78.54 0.58 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 73.4 110.923 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.2 t -151.08 113.66 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 63.1 111.157 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.41 135.56 54.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 64.43 110.892 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -162.67 178.98 8.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 70.02 110.868 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.3 t -86.86 122.05 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 63.33 111.135 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -117.89 162.31 18.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.909 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -124.5 136.08 53.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 74.42 110.894 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -126.65 121.09 31.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 73.13 110.829 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.79 130.95 55.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 75.14 110.866 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.6 mm -107.59 90.99 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 73.2 111.114 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.5 p -89.34 137.48 32.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 73.35 111.147 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.16 97.49 7.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 72.11 110.912 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.08 -50.08 2.77 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 70.31 112.492 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.78 -23.18 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 74.12 112.535 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -108.66 146.63 33.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 63.31 110.885 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.0 t -62.35 149.15 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 74.42 111.135 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.2 p -125.07 -18.27 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 75.34 111.144 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -174.64 165.39 3.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 71.04 110.882 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -112.66 154.1 26.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 75.53 110.844 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.453 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -139.89 142.29 36.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 75.24 110.955 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.9 t -123.85 141.88 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 64.32 111.144 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.1 tpp -100.63 100.52 11.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 72.43 110.891 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.27 80.21 5.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 72.4 110.822 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.88 -12.87 60.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 74.54 110.908 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -82.13 -52.32 7.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 71.42 110.861 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -86.86 -6.36 58.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 70.51 110.826 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.1 t 69.74 48.53 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 74.43 111.184 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.66 170.11 18.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.941 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.2 mp -129.52 100.43 5.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 71.22 110.885 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 m -99.77 175.07 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 72.4 111.146 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.453 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.8 pm0 -106.78 111.04 23.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 73.52 110.915 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.15 166.59 14.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 73.41 110.861 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.81 118.28 23.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 73.11 110.906 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.5 162.69 39.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 64.52 110.846 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.28 91.31 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 72.52 111.072 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -93.7 156.18 16.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 73.22 111.14 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.82 -22.28 66.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 63.55 110.894 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.97 124.14 17.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 72.13 111.115 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 97.9 m -104.03 128.23 51.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 73.24 111.156 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.84 114.44 19.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 72.11 110.918 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.16 129.26 55.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 75.21 111.152 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.405 ' HG3' ' HG2' ' A' ' 90' ' ' MET . 0.3 OUTLIER -155.66 144.94 20.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 74.32 110.844 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -78.52 158.83 28.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 74.44 110.932 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.84 -52.47 32.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 75.34 110.895 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.08 -35.15 24.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 74.02 110.852 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.9 mm -83.6 -24.8 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 73.31 111.098 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.52 -52.38 65.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 75.0 110.882 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.491 ' C ' ' CD1' ' A' ' 72' ' ' PHE . 3.6 p90 -73.9 -29.12 61.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 72.11 110.91 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.58 -59.97 2.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 73.3 111.104 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 71.3 mt -70.77 -43.13 77.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 64.21 111.109 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.63 -38.25 52.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 64.3 112.5 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 34.4 p -93.94 1.76 56.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 74.33 111.11 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.48 28.96 73.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 73.41 112.527 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.56 -39.69 70.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.319 . . . . 75.45 111.049 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 31.2 mt -119.74 153.78 54.67 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.575 0.703 . . . . 75.14 110.957 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 122.66 9.34 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.666 2.244 . . . . 72.45 112.352 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.59 -28.48 68.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 54.35 111.096 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.19 -57.05 4.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 72.42 110.901 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.26 -43.71 98.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 73.2 110.849 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.04 -51.55 52.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 75.44 111.079 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.0 mtm -77.11 -26.86 53.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.882 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.93 -31.88 67.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 75.11 111.127 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -90.11 27.62 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 74.04 110.866 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 46.35 30.17 0.99 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 75.42 110.829 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -94.44 7.07 46.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 64.21 110.927 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.405 ' HG2' ' HG3' ' A' ' 66' ' ' MET . 2.3 mtm -150.95 144.19 24.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 74.15 110.88 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -119.22 108.91 15.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 74.14 110.932 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.7 p -128.19 140.34 49.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 74.54 111.105 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -131.75 113.78 13.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 71.54 110.84 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.38 168.04 28.96 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.718 -0.753 . . . . 73.23 112.493 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -54.29 118.59 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 74.11 110.919 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.4 t -43.19 -50.2 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 74.34 111.128 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -50.33 71.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 74.25 110.887 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.7 mt -48.48 -54.11 15.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 75.13 110.903 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 43.6 pt -68.96 -24.23 28.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 70.21 111.16 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.17 -15.37 60.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 75.32 110.899 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.6 mt -76.01 -32.61 59.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 65.23 110.966 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.3 mp -84.65 -12.26 54.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 74.32 110.978 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.605 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 18.4 mt-10 -59.74 -53.48 65.18 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.64 0.733 . . . . 72.44 110.898 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.605 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.7 Cg_endo -69.71 -9.16 25.44 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 73.23 112.39 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -95.77 -17.26 21.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.897 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 23.4 mt -56.51 -44.58 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 75.54 111.113 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.71 -37.48 71.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 64.22 111.114 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 24.2 m -50.68 -27.37 6.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 72.33 110.899 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.7 mt -86.0 169.47 13.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 72.53 110.886 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 73.04 110.882 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ttt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.771 0.319 . . . . 64.21 110.861 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -127.28 140.94 51.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 72.42 110.855 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.98 170.82 7.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 75.02 110.904 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -67.56 -60.32 2.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.85 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.4 p -44.7 -30.96 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 70.22 110.817 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -53.97 -50.44 66.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 71.01 110.928 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.76 -37.01 39.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 65.44 110.885 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.8 t -56.43 -57.94 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 74.3 111.12 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -48.9 -45.54 41.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 72.03 110.898 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.58 -47.73 84.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 71.4 111.086 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -53.01 63.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.902 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.9 mt -54.76 -54.04 26.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 74.53 111.125 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.69 -52.92 62.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 70.53 111.152 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -53.69 -29.49 39.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 74.23 110.884 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -33.49 64.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 75.52 110.823 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 mt -66.99 -20.74 65.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 72.43 110.86 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -56.24 -21.78 25.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 73.03 110.88 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.18 -22.63 26.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 72.22 110.905 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.428 ' CD1' ' C4 ' ' A' ' 200' ' ' PLM . 96.5 mt -49.84 104.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.057 -0.519 . . . . 72.51 111.104 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.69 143.44 28.2 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 121.623 0.725 . . . . 72.22 110.887 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -16.15 37.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.72 2.28 . . . . 74.12 112.26 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.54 -6.66 49.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 74.42 111.08 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -171.34 103.8 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 71.22 110.888 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.13 173.44 8.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 74.13 110.902 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -124.37 -55.75 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 73.4 110.909 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.7 t -151.82 109.62 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 63.1 111.108 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.74 125.12 51.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 64.43 110.898 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.56 179.16 3.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 70.02 110.844 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.4 t -91.82 133.1 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 63.33 111.134 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -119.97 167.22 12.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.954 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -134.06 136.57 44.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 74.42 110.898 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.461 ' O ' ' HB2' ' A' ' 44' ' ' TRP . 0.4 OUTLIER -130.19 111.36 12.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 73.13 110.887 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -100.02 134.7 42.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 75.14 110.82 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.3 mm -104.58 90.44 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 73.2 111.103 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.4 p -91.22 158.97 16.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 73.35 111.115 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -135.52 98.04 3.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 72.11 110.925 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.17 -50.98 1.89 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 70.31 112.461 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.17 -31.44 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 74.12 112.508 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -102.76 155.33 18.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.349 . . . . 63.31 110.938 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.8 t -80.86 148.94 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 74.42 111.127 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.3 m -125.05 -18.33 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 75.34 111.182 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.96 156.93 15.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 71.04 110.878 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.02 152.64 34.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 75.53 110.894 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.461 ' HB2' ' O ' ' A' ' 32' ' ' PHE . 0.4 OUTLIER -135.6 147.09 48.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 75.24 110.925 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 29.1 t -121.81 142.87 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 64.32 111.14 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.3 ttm -100.77 97.33 7.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 72.43 110.888 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.57 80.45 4.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 72.4 110.871 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.8 mt -74.29 -10.12 59.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 74.54 110.921 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -82.03 -52.6 6.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 71.42 110.929 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -87.43 -5.44 58.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 70.51 110.904 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.5 t 70.51 47.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 74.43 111.1 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.3 168.47 22.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 74.13 110.964 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -128.0 100.56 5.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 71.22 110.97 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 m -97.96 176.05 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 72.4 111.096 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.458 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 4.1 pm0 -107.79 111.24 23.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 73.52 110.972 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.64 167.75 13.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 73.41 110.876 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -128.01 118.41 23.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 73.11 110.828 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.89 163.19 38.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 64.52 110.849 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.68 91.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 72.52 111.088 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.42 149.23 21.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 73.22 111.067 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -22.51 66.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 63.55 110.912 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.67 124.26 18.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 72.13 111.099 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.7 m -104.8 127.4 52.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 73.24 111.108 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.38 106.95 10.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 72.11 110.919 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.93 128.8 45.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 75.21 111.156 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -155.04 144.22 21.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 74.32 110.875 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -78.81 162.48 26.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 74.44 110.936 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.75 -59.03 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 75.34 110.851 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -51.29 -42.97 61.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 74.02 110.8 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 15.2 mm -60.27 -37.23 73.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 73.31 111.181 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -45.64 93.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.0 110.941 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -69.41 -30.37 68.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 72.11 110.916 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.38 -59.43 2.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 73.3 111.118 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.7 mt -69.11 -44.32 81.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 64.21 111.109 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.17 -39.81 51.02 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.755 -0.736 . . . . 64.3 112.465 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 41.4 p -92.65 7.13 44.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.343 . . . . 74.33 111.124 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 58.02 30.91 64.22 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.755 -0.736 . . . . 73.41 112.473 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.82 -38.81 70.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 75.45 111.083 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.74 157.17 69.66 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.621 0.724 . . . . 75.14 110.947 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 123.51 10.16 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.667 2.245 . . . . 72.45 112.331 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.03 -26.85 67.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 54.35 111.109 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.21 -56.68 5.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 72.42 110.884 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -43.39 97.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 73.2 110.898 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.03 -52.96 37.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 75.44 111.162 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.9 mtm -75.26 -26.44 58.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 72.33 110.852 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.93 -34.69 70.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 75.11 111.068 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -87.29 27.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 74.04 110.928 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 46.65 28.92 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 75.42 110.897 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.31 2.83 56.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 64.21 110.846 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.1 mtm -150.43 146.22 26.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 74.15 110.872 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -118.47 108.77 15.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 74.14 110.918 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.1 p -124.59 137.61 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 74.54 111.081 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -131.22 113.47 13.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 71.54 110.872 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.37 168.11 29.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 73.23 112.495 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 11.8 tp60 -54.36 120.2 6.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.804 0.335 . . . . 74.11 110.913 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.4 t -43.0 -50.72 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 74.34 111.164 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.86 -50.09 73.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 74.25 110.834 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 34.8 mt -48.03 -53.91 14.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 75.13 110.855 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 34.5 pt -71.45 -24.17 23.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 70.21 111.124 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -75.77 -14.27 60.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 75.32 110.812 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.33 -35.52 61.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 65.23 110.903 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.7 mp -85.14 -7.45 59.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 74.32 110.901 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.613 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 19.7 mt-10 -63.33 -53.36 53.75 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.625 0.726 . . . . 72.44 110.893 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.613 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 54.3 Cg_endo -69.67 -7.78 21.92 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.757 2.305 . . . . 73.23 112.37 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -97.99 -17.09 19.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.896 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 23.3 mt -51.61 -39.42 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 75.54 111.132 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.7 -36.18 83.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 64.22 111.073 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 32.0 m -51.48 -28.99 14.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 72.33 110.857 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.4 mp -69.37 171.19 9.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 72.53 110.877 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 73.04 110.867 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' PLM . . . . . 0.428 ' C4 ' ' CD1' ' A' ' 19' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.5 ptt? . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.809 0.338 . . . . 64.21 110.942 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.95 135.99 29.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 72.42 110.828 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.9 151.7 46.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 75.02 110.9 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -61.53 -58.4 8.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.897 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.5 m -45.88 -29.88 1.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 70.22 110.886 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -54.14 -49.86 68.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 71.01 110.916 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.99 -36.6 50.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 65.44 110.884 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.3 t -56.43 -59.44 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 74.3 111.125 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -50.67 -46.39 58.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 72.03 110.85 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.63 -43.33 99.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 71.4 111.139 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.9 mmtm -58.59 -50.64 73.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 75.44 110.894 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.45 HG21 ' C8 ' ' A' ' 200' ' ' PLM . 41.3 mt -54.61 -51.09 54.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 74.53 111.127 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.16 -51.86 67.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 70.53 111.074 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -55.11 -32.17 61.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 74.23 110.917 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -34.62 72.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 75.52 110.96 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.6 mt -61.87 -33.46 74.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 72.43 110.87 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -69.25 -13.7 62.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 73.03 110.926 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.36 -51.12 16.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 72.22 110.814 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.7 mt -47.82 104.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 72.51 111.121 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.74 144.79 89.16 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.591 0.71 . . . . 72.22 110.87 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -16.77 37.66 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.721 2.28 . . . . 74.12 112.326 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.41 -0.44 37.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 74.42 111.09 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -170.72 104.79 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 71.22 110.815 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.8 mmm-85 -107.28 174.36 5.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 74.13 110.789 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -110.92 -83.07 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 73.4 110.956 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.9 t -136.58 105.09 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 63.1 111.115 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.86 126.46 34.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 64.43 110.88 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -169.56 170.87 7.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 70.02 110.893 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.3 t -98.35 130.13 47.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 63.33 111.145 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -117.27 161.13 19.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.933 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.89 138.73 53.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 74.42 110.885 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' A' ' 44' ' ' TRP . 0.1 OUTLIER -131.03 123.01 27.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 73.13 110.855 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -117.5 134.46 54.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 75.14 110.849 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.2 mm -112.85 127.74 69.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 73.2 111.169 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.19 163.23 12.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 73.35 111.156 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.495 ' HB3' ' HB ' ' A' ' 41' ' ' VAL . 1.8 tt0 -143.32 98.01 3.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 72.11 110.9 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.22 42.68 18.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 70.31 112.532 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.54 8.43 66.94 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 74.12 112.491 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.97 131.6 37.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.815 0.34 . . . . 63.31 110.91 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.5 p -44.72 145.56 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 74.42 111.071 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.495 ' HB ' ' HB3' ' A' ' 36' ' ' GLN . 1.1 p -127.19 -29.34 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 75.34 111.149 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.79 165.69 3.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 71.04 110.885 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.48 152.83 29.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 75.53 110.904 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.429 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -135.36 145.04 46.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 75.24 110.897 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.6 t -125.0 141.57 44.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 64.32 111.153 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 tpp -100.76 97.36 8.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 72.43 110.899 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -76.14 80.56 2.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 72.4 110.9 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.2 mp -72.89 -11.94 60.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 74.54 110.935 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -83.07 -53.02 6.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 71.42 110.893 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -85.81 -7.28 58.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 70.51 110.924 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.3 t 69.95 48.78 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 74.43 111.125 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.43 167.11 26.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 74.13 110.871 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 mp -125.38 100.3 6.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 71.22 110.965 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 m -99.92 176.52 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.116 -0.493 . . . . 72.4 111.177 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.429 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.2 pm0 -108.03 110.92 22.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 73.52 110.93 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.89 170.13 9.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 73.41 110.83 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -128.54 116.37 19.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 73.11 110.926 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -156.04 169.56 24.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.499 . . . . 64.52 110.888 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.9 157.83 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 72.52 111.082 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -168.27 141.45 3.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 73.22 111.12 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.58 -24.93 68.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 63.55 110.89 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.56 124.21 18.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 72.13 111.083 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 77.6 m -108.54 129.4 55.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 73.24 111.109 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.41 114.41 17.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 72.11 110.899 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -104.39 132.2 50.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 75.21 111.138 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.7 mtt -155.68 144.4 20.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.869 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -78.95 161.33 26.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 74.44 110.895 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.05 -59.09 3.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 75.34 110.853 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -51.35 -36.48 43.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.02 110.846 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.4 mm -70.69 -32.6 49.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 73.31 111.102 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.7 tpt -62.49 -47.2 85.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 75.0 110.874 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -67.24 -32.03 72.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 72.11 110.876 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.65 -60.15 2.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 73.3 111.152 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.9 mm -63.22 -43.63 98.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 64.21 111.129 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.06 -36.06 42.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 64.3 112.517 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.7 p -97.29 0.43 48.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.343 . . . . 74.33 111.129 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 68.41 33.22 76.79 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.786 -0.721 . . . . 73.41 112.454 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.72 -43.83 16.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 75.45 111.137 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 28.4 mt -106.54 144.76 29.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.714 . . . . 75.14 110.917 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 120.25 7.07 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.668 2.246 . . . . 72.45 112.326 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.53 -33.67 71.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 54.35 111.115 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.11 -57.01 4.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 72.42 110.895 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -44.87 93.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 73.2 110.852 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.07 -52.75 40.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 75.44 111.128 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.4 mtt -74.16 -26.84 60.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 72.33 110.783 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.9 -32.06 71.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 75.11 111.072 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.22 27.51 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 74.04 110.951 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 46.46 29.55 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 75.42 110.903 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -94.26 2.01 55.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 64.21 110.917 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.9 mtm -154.32 148.71 26.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 74.15 110.876 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -120.49 108.55 14.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 74.14 110.856 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.4 p -123.25 140.03 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 74.54 111.125 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -132.71 113.64 13.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.473 . . . . 71.54 110.835 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.8 167.36 27.36 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 73.23 112.447 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.17 119.36 6.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.832 0.349 . . . . 74.11 110.904 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.3 t -42.67 -45.74 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 74.34 111.149 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.08 -48.97 79.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 74.25 110.847 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 61.0 mt -48.6 -54.36 14.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 75.13 110.94 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.9 pt -69.67 -29.12 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 70.21 111.114 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -70.06 -16.29 63.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 75.32 110.839 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 10.4 mt -76.16 -33.32 59.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 65.23 110.943 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.7 mp -82.73 -12.97 57.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.956 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.582 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 25.6 mt-10 -58.57 -55.0 50.45 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.66 0.743 . . . . 72.44 110.876 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 54.2 Cg_endo -69.74 -10.09 27.72 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.719 2.279 . . . . 73.23 112.296 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -94.4 -17.75 22.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 74.43 110.902 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.8 mt -55.58 -48.01 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 75.54 111.108 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.73 -35.92 56.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 64.22 111.131 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.0 t -51.69 -28.76 15.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 72.33 110.837 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.6 mt -80.49 170.27 16.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 72.53 110.933 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.5 mttm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 73.04 110.931 179.815 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' PLM . . . . . 0.45 ' C8 ' HG21 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.833 0.349 . . . . 64.21 110.897 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.3 p -53.23 148.98 7.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 72.42 110.832 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.3 mt -74.28 128.43 35.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 75.02 110.934 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -47.65 -48.99 28.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.897 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.69 -32.3 1.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 70.22 110.823 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -54.45 -47.91 72.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.475 . . . . 71.01 110.853 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -55.16 -39.43 69.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 65.44 110.938 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.0 t -58.32 -57.1 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 74.3 111.134 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -48.75 -41.85 33.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 72.03 110.819 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.56 -47.98 83.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 71.4 111.121 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.07 -49.27 69.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 75.44 110.908 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.422 HG23 ' C8 ' ' A' ' 200' ' ' PLM . 20.4 mt -54.91 -43.14 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.53 111.142 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.27 -53.57 28.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 70.53 111.167 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.9 tttt -54.82 -32.22 60.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.86 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.47 -35.03 75.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 75.52 110.822 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.9 mt -60.7 -33.47 72.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 72.43 110.846 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -63.47 -17.14 62.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 73.03 110.916 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.1 m -77.04 -42.26 39.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 72.22 110.837 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.0 mt -48.29 104.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 72.51 111.127 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.41 145.72 99.03 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.664 0.745 . . . . 72.22 110.87 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.76 -20.71 34.46 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.638 2.225 . . . . 74.12 112.295 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.64 5.36 39.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 74.42 111.097 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -165.14 104.79 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 71.22 110.903 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.0 mmm-85 -99.25 -168.27 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 74.13 110.857 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -155.21 82.72 1.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 73.4 110.868 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.6 t 60.55 95.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 63.1 111.16 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.28 126.26 32.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 64.43 110.91 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -169.76 179.19 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 70.02 110.821 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.9 t -126.16 138.51 54.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 63.33 111.176 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.406 ' CD1' ' N ' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -136.3 149.02 48.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 74.21 110.908 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -105.69 148.96 26.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 74.42 110.867 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.11 146.54 45.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.13 110.885 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.6 mtt180 -128.61 127.78 42.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 75.14 110.892 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.4 mm -116.11 98.47 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 73.2 111.144 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' A' ' 40' ' ' VAL . 1.4 p -82.87 139.84 33.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 73.35 111.193 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -151.24 104.75 3.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 72.11 110.916 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.46 11.24 31.66 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 70.31 112.485 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.0 -14.03 48.98 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 74.12 112.48 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -139.02 161.06 38.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.377 . . . . 63.31 110.853 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.41 ' HA ' ' HA ' ' A' ' 35' ' ' THR . 8.4 p -58.08 128.34 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 74.42 111.112 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.0 p -94.48 -27.92 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 75.34 111.165 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.34 153.36 1.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 71.04 110.907 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -95.52 158.18 15.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 75.53 110.883 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -133.64 145.42 49.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 75.24 110.871 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.1 t -129.27 138.34 54.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 64.32 111.141 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.7 99.55 10.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 72.43 110.902 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.99 94.6 7.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 72.4 110.873 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.3 mt -83.91 -3.12 57.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 74.54 110.875 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -85.49 -55.19 4.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 71.42 110.885 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -88.22 -6.12 58.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 70.51 110.852 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.5 t 70.75 49.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 74.43 111.115 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -148.51 163.72 36.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 74.13 110.918 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.5 mp -120.75 100.95 7.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 71.22 110.949 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 m -97.37 175.75 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 72.4 111.141 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -109.69 113.36 26.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 73.52 110.876 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.23 165.23 13.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 73.41 110.835 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -122.09 116.5 24.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 73.11 110.872 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.23 166.3 33.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 64.52 110.893 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.74 159.67 0.36 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.448 . . . . 72.52 111.083 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -168.73 140.21 2.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 73.22 111.098 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -63.96 -14.99 58.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 63.55 110.862 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -147.08 124.18 11.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 72.13 111.114 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 41.8 m -100.09 128.95 46.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 73.24 111.138 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.67 139.16 52.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 72.11 110.944 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.408 ' O ' ' HG3' ' A' ' 66' ' ' MET . 1.2 t -138.15 136.03 36.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.43 . . . . 75.21 111.137 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.487 ' HG3' ' HG2' ' A' ' 90' ' ' MET . 0.0 OUTLIER -157.07 142.67 17.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.879 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -76.1 159.76 30.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 74.44 110.865 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.98 -59.18 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 75.34 110.879 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -53.09 -37.83 62.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 74.02 110.813 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.8 mm -65.54 -46.09 90.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 73.31 111.14 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 62.6 tpp -51.11 -44.55 61.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 75.0 110.907 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -66.97 -30.92 71.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 72.11 110.907 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.73 -59.33 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.067 -0.515 . . . . 73.3 111.148 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 57.2 mt -66.28 -45.54 89.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 64.21 111.158 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.29 -39.67 51.7 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 64.3 112.559 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 46.0 p -93.03 8.67 38.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 74.33 111.125 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.53 24.0 51.1 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.796 -0.716 . . . . 73.41 112.493 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.4 -39.28 81.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 75.45 111.127 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.5 mt -121.15 152.75 57.45 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.627 0.727 . . . . 75.14 110.901 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 126.47 13.37 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.676 2.25 . . . . 72.45 112.351 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.45 -28.37 69.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 54.35 111.083 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -71.15 -57.0 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 72.42 110.905 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.45 -43.9 93.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 73.2 110.834 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.93 -52.35 43.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 75.44 111.161 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.1 mtt -75.23 -26.65 59.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 72.33 110.9 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.75 -33.88 70.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 75.11 111.054 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -87.45 27.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 74.04 110.933 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 46.56 29.57 0.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 75.42 110.858 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' A' ' 90' ' ' MET . 3.0 mttt -90.05 3.43 53.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 64.21 110.919 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.487 ' HG2' ' HG3' ' A' ' 66' ' ' MET . 3.5 mtm -154.58 147.09 24.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 74.15 110.858 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -116.59 108.43 15.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 74.14 110.87 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.7 p -124.85 137.67 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 74.54 111.163 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -132.44 112.64 12.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 71.54 110.888 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.47 167.66 27.47 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.712 -0.756 . . . . 73.23 112.509 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.64 118.09 3.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.846 0.355 . . . . 74.11 110.915 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 83.7 t -42.55 -44.17 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 74.34 111.116 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.86 -50.07 75.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 74.25 110.892 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 75.0 mt -48.1 -54.07 14.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 75.13 110.91 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.1 pt -71.51 -23.39 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 70.21 111.103 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -75.32 -14.15 60.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 75.32 110.819 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.63 -34.13 60.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 65.23 110.892 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.6 mp -85.77 -7.33 58.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 74.32 110.913 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.616 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 15.7 mt-10 -64.88 -52.42 50.1 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.655 0.74 . . . . 72.44 110.894 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.616 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.9 Cg_endo -69.69 -8.35 23.38 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.708 2.272 . . . . 73.23 112.381 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -97.41 -17.37 19.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 74.43 110.853 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 21.8 mt -53.64 -48.22 60.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 75.54 111.122 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.98 -37.65 71.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.481 . . . . 64.22 111.055 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.16 -26.31 6.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 72.33 110.858 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 7.7 mt -82.95 171.17 14.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 72.53 110.871 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.7 mttm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 73.04 110.887 179.834 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' PLM . . . . . 0.422 ' C8 ' HG23 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 ptp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.724 0.297 . . . . 64.21 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.32 134.97 34.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 72.42 110.871 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.1 mt -81.03 176.94 9.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 75.02 110.935 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.6 mmpt? -70.59 -60.84 2.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 74.23 110.886 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.48 -32.62 1.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 70.22 110.913 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -54.03 -49.84 68.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.495 . . . . 71.01 110.924 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -52.67 -38.14 59.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 65.44 110.933 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.427 ' CG2' ' HA ' ' A' ' 72' ' ' PHE . 67.3 t -50.81 -61.47 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 74.3 111.141 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -49.94 -47.83 52.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 72.03 110.858 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.29 91.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 71.4 111.134 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -57.0 -52.57 64.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 75.44 110.904 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.3 mt -53.85 -58.2 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 74.53 111.131 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.27 -51.61 43.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 70.53 111.132 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -55.48 -32.43 62.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 74.23 110.919 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.95 -35.48 72.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 75.52 110.818 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 mt -66.37 -19.87 65.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 72.43 110.896 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -54.81 -23.82 19.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 73.03 110.832 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.36 -23.99 34.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 72.22 110.9 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 84.1 mt -49.29 104.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 72.51 111.101 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.08 143.19 27.48 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.596 0.712 . . . . 72.22 110.856 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -13.89 35.14 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.683 2.255 . . . . 74.12 112.285 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.32 -8.44 56.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 74.42 111.095 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -171.69 103.79 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 71.22 110.897 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.74 173.91 7.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 74.13 110.857 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -123.32 -55.87 1.74 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 73.4 110.887 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 30.8 t -153.1 115.44 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 63.1 111.126 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -108.08 125.24 51.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.146 -0.479 . . . . 64.43 110.839 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -170.36 175.54 4.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.067 -0.515 . . . . 70.02 110.916 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.1 t -93.14 134.13 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 63.33 111.072 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -123.98 141.77 51.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.939 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -106.94 137.94 44.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 74.42 110.876 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -129.01 117.97 21.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 73.13 110.917 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.81 135.36 39.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 75.14 110.854 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.4 mm -112.29 90.73 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 73.2 111.071 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.0 p -99.62 169.6 9.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 73.35 111.187 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -135.25 98.66 4.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 72.11 110.931 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.2 -46.2 2.23 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.744 -0.741 . . . . 70.31 112.448 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 178.46 -30.08 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.793 -0.718 . . . . 74.12 112.513 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.02 140.95 30.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 63.31 110.88 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.8 t -73.48 141.32 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 74.42 111.189 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.2 m -120.28 -26.45 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 75.34 111.096 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.73 146.73 14.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 71.04 110.862 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.14 156.28 17.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 75.53 110.859 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.415 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -141.87 149.84 40.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 75.24 110.883 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.44 142.42 43.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 64.32 111.135 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.1 tpp -100.26 106.63 18.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 72.43 110.877 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.38 84.61 6.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 72.4 110.88 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.401 ' CD1' ' H42' ' A' ' 200' ' ' PLM . 0.9 OUTLIER -74.21 -13.55 60.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 74.54 110.988 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.25 -51.29 8.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 71.42 110.877 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -85.19 -6.43 59.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 70.51 110.887 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.1 t 67.64 43.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 74.43 111.126 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.23 168.16 24.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 74.13 110.868 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.8 mp -118.78 136.58 53.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 71.22 110.934 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 m -136.86 165.85 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 72.4 111.158 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.415 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.2 pm0 -99.5 106.46 18.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 73.52 110.921 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.72 163.6 14.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 73.41 110.873 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.93 117.29 23.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 73.11 110.897 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.01 161.92 39.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 64.52 110.849 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.72 91.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 72.52 111.144 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.03 150.16 20.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 73.22 111.07 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -22.32 66.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 63.55 110.915 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.7 124.1 18.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 72.13 111.091 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.5 m -102.92 127.86 49.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 73.24 111.084 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mp -124.21 108.64 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 72.11 110.936 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.9 129.73 49.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 75.21 111.161 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 3.5 mtm -156.97 157.45 34.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 74.32 110.902 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -86.78 157.99 19.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 74.44 110.879 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.63 -56.37 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 75.34 110.862 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.79 -41.38 57.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 74.02 110.879 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 15.1 mm -62.08 -41.78 92.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 73.31 111.135 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.1 tpp -51.74 -44.12 63.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.204 -0.453 . . . . 75.0 110.922 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.427 ' HA ' ' CG2' ' A' ' 8' ' ' VAL . 41.0 t80 -70.38 -30.47 67.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 72.11 110.903 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.06 -59.97 2.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.11 -0.495 . . . . 73.3 111.116 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.2 mt -72.02 -35.58 54.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 64.21 111.109 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -48.74 -41.64 27.46 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.655 -0.783 . . . . 64.3 112.555 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.8 t -101.47 7.57 42.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.343 . . . . 74.33 111.154 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.79 34.05 88.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 73.41 112.521 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.57 -41.51 54.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.331 . . . . 75.45 111.063 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.3 mt -115.19 157.75 42.89 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.643 0.735 . . . . 75.14 110.855 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.69 106.78 1.71 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.691 2.261 . . . . 72.45 112.406 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.05 -28.77 58.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 54.35 111.096 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -49.77 42.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 72.42 110.864 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.32 -44.39 95.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 73.2 110.893 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.62 -52.29 48.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 75.44 111.115 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 7.9 mtt -74.61 -26.62 60.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.827 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.87 -29.69 70.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 75.11 111.108 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -88.06 28.18 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 74.04 110.878 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 47.27 28.3 1.01 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.431 . . . . 75.42 110.816 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.91 1.66 56.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 64.21 110.83 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.9 mtm -152.25 147.73 26.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 74.15 110.853 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -121.43 108.48 13.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 74.14 110.903 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 63.6 t -121.05 139.62 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 74.54 111.159 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -132.86 113.4 12.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 71.54 110.881 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.93 167.93 28.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 73.23 112.454 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.2 tp60 -54.48 116.51 2.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 74.11 110.869 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 64.5 t -42.93 -46.98 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 74.34 111.094 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -57.8 -49.83 75.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 74.25 110.874 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 65.1 mt -48.46 -54.12 15.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 75.13 110.944 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.428 ' O ' ' CG ' ' A' ' 200' ' ' PLM . 46.2 pt -71.06 -26.11 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 70.21 111.083 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -76.11 -15.84 60.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 75.32 110.847 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.9 mt -75.76 -33.54 60.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 65.23 110.915 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.3 mp -83.1 -11.32 58.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 74.32 110.926 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.612 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 17.5 mt-10 -60.84 -53.48 63.71 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.645 0.736 . . . . 72.44 110.854 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.612 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 54.7 Cg_endo -69.72 -10.16 27.9 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.664 2.242 . . . . 73.23 112.403 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -96.85 -16.2 20.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 74.43 110.894 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.8 mt -57.13 -41.58 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 75.54 111.11 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.34 -39.58 70.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 64.22 111.122 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.1 t -50.99 -28.92 10.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 72.33 110.862 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 7.0 mp -76.57 170.85 15.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 72.53 110.985 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 73.04 110.901 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' PLM . . . . . 0.428 ' CG ' ' O ' ' A' ' 99' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mmt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.838 0.351 . . . . 64.21 110.87 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.96 113.52 2.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 72.42 110.912 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.76 178.94 4.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.515 . . . . 75.02 110.874 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -58.85 3.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.912 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.402 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 0.8 OUTLIER -43.81 -30.89 0.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 70.22 110.898 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -53.49 -48.8 68.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.08 -0.509 . . . . 71.01 110.86 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -50.29 -37.59 37.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 65.44 110.905 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.402 ' HB ' ' O ' ' A' ' 5' ' ' SER . 72.7 t -57.97 -60.28 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 74.3 111.1 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -48.73 -49.16 39.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 72.03 110.892 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.15 -41.1 97.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 71.4 111.092 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -61.81 -52.77 62.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 75.44 110.913 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.627 HG22 ' C8 ' ' A' ' 200' ' ' PLM . 54.2 mt -54.26 -49.04 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 74.53 111.097 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.436 ' O ' ' HG ' ' A' ' 16' ' ' LEU . . . -63.54 -54.14 40.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 70.53 111.048 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -55.54 -28.16 53.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.867 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -36.38 53.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 75.52 110.948 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -71.24 -19.78 62.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 72.43 110.927 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 13' ' ' ALA . 60.7 mt-10 -87.95 -10.22 51.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 73.03 110.876 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 m -74.05 -41.15 62.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 72.22 110.892 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.3 mp -47.88 104.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 72.51 111.112 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.56 144.34 72.7 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 121.64 0.733 . . . . 72.22 110.942 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -11.36 30.73 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.241 . . . . 74.12 112.406 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.91 -4.9 54.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 74.42 111.059 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -173.83 104.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 71.22 110.914 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.9 mmm-85 -102.94 -170.73 1.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 74.13 110.822 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.85 -78.78 0.6 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 73.4 110.92 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.8 t -137.66 122.26 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 63.1 111.159 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -110.56 126.71 54.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 64.43 110.913 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -167.77 175.58 6.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 70.02 110.828 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.0 t -96.24 124.58 49.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 63.33 111.12 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -122.77 155.0 37.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 74.21 110.935 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -120.67 136.31 54.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 74.42 110.86 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.64 119.28 26.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 73.13 110.861 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.42 132.8 43.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 75.14 110.835 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.2 mm -114.73 114.06 45.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 73.2 111.224 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 57.9 p -111.05 141.04 45.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 73.35 111.041 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.74 99.35 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 72.11 110.969 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 123.53 -7.54 9.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.729 . . . . 70.31 112.477 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.21 -26.79 3.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.781 -0.723 . . . . 74.12 112.454 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.48 161.74 37.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.377 . . . . 63.31 110.835 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 72.6 t -58.68 133.22 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 74.42 111.111 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.5 m -90.33 -33.74 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 75.34 111.105 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.76 147.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 71.04 110.922 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.0 162.13 17.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 75.53 110.803 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.53 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 1.0 OUTLIER -137.63 149.48 46.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 75.24 110.934 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 32.3 t -124.2 138.44 53.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 64.32 111.133 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.2 ttm -100.35 97.2 7.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 72.43 110.85 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -77.73 78.47 4.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 72.4 110.892 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.96 -14.18 60.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 74.54 110.95 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.82 -47.9 15.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 71.42 110.909 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.89 -2.71 57.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 70.51 110.881 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 t 69.2 47.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 74.43 111.094 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.75 168.0 24.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 74.13 110.915 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.3 101.57 5.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 71.22 110.929 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 m -102.36 173.27 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 72.4 111.163 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.53 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -106.82 112.75 25.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 73.52 110.837 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.15 166.52 14.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 73.41 110.86 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.88 117.61 24.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 73.11 110.879 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.4 162.47 40.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 64.52 110.882 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.99 92.98 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 72.52 111.075 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.51 151.28 19.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 73.22 111.124 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -64.35 -19.78 65.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 63.55 110.928 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -141.2 124.28 16.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 72.13 111.139 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 83.8 m -104.84 129.45 53.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 73.24 111.137 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.48 113.84 19.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 72.11 110.936 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.55 128.31 54.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 75.21 111.171 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -159.78 152.95 21.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.32 110.868 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.439 ' O ' ' HB ' ' A' ' 70' ' ' ILE . 1.9 mm-40 -80.61 163.31 23.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 74.44 110.854 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.407 ' HA ' ' HE2' ' A' ' 71' ' ' MET . 0.4 OUTLIER -55.24 -55.15 34.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 75.34 110.8 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.19 -37.86 72.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 74.02 110.852 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.439 ' HB ' ' O ' ' A' ' 67' ' ' GLU . 14.4 mm -52.64 -46.58 49.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 73.31 111.168 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.407 ' HE2' ' HA ' ' A' ' 68' ' ' ASP . 4.1 ptp -52.02 -33.8 40.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 75.0 110.911 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -71.26 -30.59 66.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 72.11 110.874 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.27 -60.73 2.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 73.3 111.179 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.5 mt -70.09 -45.35 76.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 64.21 111.166 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -51.11 -41.08 45.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.732 . . . . 64.3 112.503 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 32.8 p -88.69 -5.43 58.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 74.33 111.154 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.75 13.57 82.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.807 -0.711 . . . . 73.41 112.431 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.06 -41.67 79.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 75.45 111.046 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.26 148.63 58.49 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.555 0.693 . . . . 75.14 110.929 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 130.19 18.95 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.655 2.237 . . . . 72.45 112.445 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.75 -27.89 69.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 54.35 111.061 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -56.96 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 72.42 110.871 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -44.27 84.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 73.2 110.882 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.79 -52.82 37.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 75.44 111.057 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.0 mtm -72.77 -26.74 61.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.928 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.43 -33.39 73.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 75.11 111.155 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -85.74 27.88 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 74.04 110.933 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 46.93 28.79 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 75.42 110.856 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -93.07 0.75 57.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 64.21 110.887 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.5 mtm -148.55 143.54 26.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 74.15 110.826 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -116.94 108.85 16.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 74.14 110.939 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.9 p -130.15 138.51 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 74.54 111.166 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -131.75 113.56 13.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 71.54 110.858 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.16 167.92 28.58 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.763 -0.732 . . . . 73.23 112.501 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.2 tp60 -54.46 119.31 5.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.832 0.348 . . . . 74.11 110.908 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.0 t -42.78 -48.5 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 74.34 111.12 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -58.02 -50.5 73.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 74.25 110.911 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 54.1 mt -48.29 -54.21 14.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.144 -0.48 . . . . 75.13 110.926 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 36.2 pt -71.24 -25.03 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 70.21 111.1 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -72.72 -12.09 60.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 75.32 110.882 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.1 mt -75.73 -35.07 60.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 65.23 110.852 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.7 mp -85.07 -7.7 58.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.902 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.602 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 13.9 mt-10 -63.9 -53.5 48.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.622 0.725 . . . . 72.44 110.803 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.8 Cg_endo -69.7 -8.43 23.58 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.67 2.247 . . . . 73.23 112.405 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -96.56 -17.1 20.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.945 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 17.4 mt -57.57 -43.37 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.059 -0.519 . . . . 75.54 111.142 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.9 87.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 64.22 111.142 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.1 -24.42 3.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 72.33 110.824 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 13.3 mt -76.33 171.03 15.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 72.53 110.946 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 73.04 110.899 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' PLM . . . . . 0.627 ' C8 ' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.4 ptm . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.793 0.33 . . . . 64.21 110.853 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -114.73 122.42 46.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 72.42 110.784 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.01 179.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 75.02 110.909 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.57 -34.93 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.876 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.463 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 6.5 p -44.31 -29.62 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 70.22 110.849 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -53.91 -44.13 70.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 71.01 110.905 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -52.85 -36.4 58.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 65.44 110.882 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.463 ' HB ' ' O ' ' A' ' 5' ' ' SER . 25.3 t -55.3 -60.5 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 74.3 111.107 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -49.83 -45.08 49.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 72.03 110.885 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.33 92.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 71.4 111.058 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.32 -51.05 70.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 75.44 110.913 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.9 mt -58.77 -35.53 56.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 74.53 111.193 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.401 ' O ' ' HG3' ' A' ' 17' ' ' GLU . . . -71.19 -55.14 8.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 70.53 111.089 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -55.08 -30.23 59.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.23 110.902 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.0 -34.29 50.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 75.52 110.908 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.84 -30.27 45.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 72.43 110.873 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 13' ' ' ALA . 40.7 mt-10 -64.52 -23.71 67.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 73.03 110.871 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.43 -21.72 59.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 72.22 110.843 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.5 mt -52.78 104.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 72.51 111.122 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.61 143.47 54.91 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.579 0.704 . . . . 72.22 110.844 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -15.03 36.64 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.715 2.277 . . . . 74.12 112.381 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.96 -5.4 43.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 74.42 111.112 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -170.05 104.47 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 71.22 110.904 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.2 mmm-85 -111.56 -170.06 1.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 74.13 110.839 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -131.11 -85.65 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 73.4 110.896 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 t -126.11 116.56 46.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 63.1 111.132 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -93.12 126.19 38.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 64.43 110.873 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.87 179.82 3.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 70.02 110.865 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.4 t -132.69 123.23 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 63.33 111.079 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -125.26 160.94 28.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 74.21 110.905 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -106.07 144.37 32.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 74.42 110.925 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.87 120.38 31.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 73.13 110.903 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.35 130.57 45.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 75.14 110.871 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 43.2 mm -115.36 90.89 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 73.2 111.051 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 40' ' ' VAL . 3.3 p -83.6 139.46 32.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 73.35 111.122 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -151.89 110.19 3.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 72.11 110.952 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 105.19 11.95 28.44 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 70.31 112.486 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.59 -18.9 43.33 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.69 -0.767 . . . . 74.12 112.379 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -139.95 161.29 37.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.881 0.372 . . . . 63.31 110.847 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.427 ' HA ' ' HA ' ' A' ' 35' ' ' THR . 90.7 t -57.65 136.25 21.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 74.42 111.106 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.1 m -113.01 -27.67 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 75.34 111.07 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.6 138.46 1.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 71.04 110.911 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.37 163.31 17.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 75.53 110.942 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -137.72 145.87 43.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 75.24 110.892 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.6 t -132.94 138.22 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 64.32 111.076 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.05 110.15 22.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 72.43 110.916 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -87.63 91.9 8.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 72.4 110.778 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.8 mp -79.29 -8.09 58.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 74.54 110.956 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -82.48 -54.06 5.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 71.42 110.866 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.93 -4.22 59.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 70.51 110.876 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 t 64.47 46.37 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 74.43 111.245 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -149.44 150.0 31.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 74.13 110.914 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.54 137.32 39.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 71.22 110.868 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.4 m -139.91 165.31 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 72.4 111.12 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.09 112.96 26.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 73.52 110.894 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.61 169.64 10.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 73.41 110.909 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.25 114.66 19.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 73.11 110.9 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -156.65 167.94 28.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 64.52 110.878 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.38 157.62 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 72.52 111.122 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -167.39 140.58 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 73.22 111.167 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -15.58 59.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 63.55 110.899 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -147.27 124.88 11.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 72.13 111.092 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 64.7 m -101.82 129.96 48.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 73.24 111.15 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.06 135.82 52.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.47 . . . . 72.11 110.925 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -128.38 131.1 48.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 75.21 111.094 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 34.2 mtt -157.13 147.47 21.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 74.32 110.865 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -85.05 163.09 19.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 74.44 110.867 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.57 -58.44 5.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 75.34 110.849 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -51.99 -40.97 61.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 74.02 110.859 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.2 mm -58.99 -38.43 73.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 73.31 111.073 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -42.68 90.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 75.0 110.875 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -71.01 -30.22 66.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 72.11 110.919 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.84 -59.43 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 73.3 111.032 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 80.0 mt -71.79 -43.49 69.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 64.21 111.172 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.56 -40.92 55.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 64.3 112.473 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 30.7 p -89.4 3.19 53.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.854 0.359 . . . . 74.33 111.132 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.47 26.31 68.0 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 73.41 112.435 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.38 -40.72 77.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 75.45 111.101 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.61 158.52 67.42 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.646 0.736 . . . . 75.14 110.924 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 125.54 12.3 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.669 2.246 . . . . 72.45 112.394 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.66 -26.91 68.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 54.35 111.088 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -71.1 -56.01 7.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 72.42 110.899 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.45 -42.42 82.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 73.2 110.887 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.25 -51.15 56.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 75.44 111.1 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 7.3 mtm -76.14 -26.98 56.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.907 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.55 -32.51 70.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 75.11 111.113 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -89.92 28.44 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 74.04 110.896 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 48.71 28.16 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 75.42 110.888 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.48 1.01 53.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 64.21 110.92 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -157.2 151.57 25.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 74.15 110.854 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -120.72 108.41 13.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 74.14 110.916 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.0 p -123.32 139.1 51.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.116 -0.493 . . . . 74.54 111.12 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -131.0 112.51 13.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 71.54 110.881 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 165.85 167.45 26.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.83 -0.7 . . . . 73.23 112.491 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.79 117.8 3.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 74.11 110.912 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.0 t -42.64 -41.9 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 74.34 111.201 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.87 -50.22 74.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 74.25 110.908 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 80.7 mt -48.08 -54.63 12.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 75.13 110.864 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.8 pt -71.19 -23.09 22.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 70.21 111.113 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -76.34 -14.26 60.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.272 -0.422 . . . . 75.32 110.906 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.91 -38.01 58.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 65.23 110.93 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.499 ' HG ' ' C8 ' ' A' ' 200' ' ' PLM . 6.7 mp -83.54 -5.92 59.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.969 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.588 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 16.8 mt-10 -65.76 -54.89 25.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.633 0.73 . . . . 72.44 110.852 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.588 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.5 Cg_endo -69.68 -8.45 23.63 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.653 2.236 . . . . 73.23 112.311 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -94.93 -16.47 22.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.842 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.4 mt -56.59 -38.54 57.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 75.54 111.137 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.5 -40.82 89.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 64.22 111.085 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.1 t -50.92 -33.19 23.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 72.33 110.766 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.51 169.47 0.91 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 72.53 110.901 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 73.04 110.886 179.809 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' PLM . . . . . 0.499 ' C8 ' ' HG ' ' A' ' 102' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.8 ttt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.708 0.289 . . . . 64.21 110.857 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 p -92.93 142.34 27.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 72.42 110.823 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 mt -118.32 173.89 6.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 75.02 110.85 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.72 -60.52 3.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 74.23 110.936 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 m -45.17 -30.46 1.17 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.224 -0.444 . . . . 70.22 110.913 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -54.06 -50.2 67.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.503 . . . . 71.01 110.824 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.9 -36.42 38.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 65.44 110.871 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.2 t -56.56 -61.02 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 74.3 111.113 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -48.93 -47.15 43.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 72.03 110.854 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.78 -45.25 93.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 71.4 111.148 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -56.5 -51.31 68.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 75.44 110.956 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.3 mt -55.43 -56.8 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 74.53 111.121 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.1 -53.03 58.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 70.53 111.154 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -25.82 38.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.869 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -33.27 55.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 75.52 110.856 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.7 mt -67.72 -39.11 84.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 72.43 110.932 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -61.6 -18.39 59.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 73.03 110.898 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 t -74.93 -50.83 15.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 72.22 110.881 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.6 mp -48.33 104.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 72.51 111.094 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.17 144.85 75.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.612 0.72 . . . . 72.22 110.855 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -17.51 37.41 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.636 2.224 . . . . 74.12 112.266 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.87 -5.44 43.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.336 -0.393 . . . . 74.42 111.084 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -164.34 104.21 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 71.22 110.942 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.5 mmm-85 -109.33 -179.33 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 74.13 110.897 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -119.5 -79.87 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 73.4 110.92 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.88 112.67 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 63.1 111.08 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -104.03 126.79 51.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 64.43 110.938 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -167.64 169.18 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 70.02 110.87 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.2 t -86.86 126.53 40.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 63.33 111.152 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -112.95 173.06 6.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 74.21 110.944 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -138.29 133.85 33.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 74.42 110.891 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.9 128.01 46.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 73.13 110.894 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -113.16 135.58 53.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 75.14 110.947 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.8 mm -114.22 105.1 18.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 73.2 111.129 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.9 p -100.68 138.58 37.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 73.35 111.177 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.04 98.23 6.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 72.11 110.898 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.57 -61.31 1.47 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.709 -0.758 . . . . 70.31 112.485 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.63 3.93 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.748 -0.739 . . . . 74.12 112.468 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -135.85 155.67 49.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.816 0.341 . . . . 63.31 110.919 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.7 p -65.97 146.55 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 74.42 111.18 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.4 p -120.62 -20.85 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 75.34 111.118 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.1 165.08 4.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 71.04 110.948 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -112.15 151.45 29.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 75.53 110.883 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -139.89 157.57 45.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 75.24 110.943 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.7 p -145.46 138.62 21.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 64.32 111.098 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -98.98 116.36 31.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 72.43 110.906 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -92.22 86.98 5.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 72.4 110.865 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.3 -6.21 41.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 74.54 110.893 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.14 -53.99 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 71.42 110.911 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -83.87 -8.35 59.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 70.51 110.889 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.0 t 68.7 41.07 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 74.43 111.065 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.8 ptmt -149.4 156.77 42.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 74.13 110.883 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.5 mp -102.78 139.51 38.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 71.22 110.856 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 m -136.64 157.83 36.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 72.4 111.091 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.47 101.96 13.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 73.52 110.896 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.87 164.71 14.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 73.41 110.921 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.32 117.54 25.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 73.11 110.83 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -144.12 158.83 43.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 64.52 110.902 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.07 93.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 72.52 111.053 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.78 144.63 27.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 73.22 111.086 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.07 -16.9 62.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 63.55 110.863 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.82 124.36 13.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 72.13 111.119 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.8 m -106.45 130.26 54.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 73.24 111.121 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 mp -128.28 107.07 9.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 72.11 110.923 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 t -98.56 134.5 41.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 75.21 111.17 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.457 ' HG3' ' HG2' ' A' ' 90' ' ' MET . 0.2 OUTLIER -159.89 152.27 20.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 74.32 110.824 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -83.74 158.56 21.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 74.44 110.868 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.84 -58.84 3.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 75.34 110.854 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.55 -47.23 63.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 74.02 110.855 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 15.0 mm -53.03 -44.95 51.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 73.31 111.084 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.0 tpp -50.76 -42.39 57.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 75.0 110.886 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -68.09 -31.05 70.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 72.11 110.858 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.96 -59.49 2.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 73.3 111.083 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 44.7 mt -66.61 -46.27 86.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 64.21 111.113 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.52 -36.89 48.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 64.3 112.46 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 43.4 p -93.83 5.3 52.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.829 0.347 . . . . 74.33 111.139 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.37 32.01 71.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.824 -0.703 . . . . 73.41 112.43 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.37 -39.59 59.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.813 0.34 . . . . 75.45 111.132 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.4 155.72 71.28 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.628 0.727 . . . . 75.14 110.944 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 126.52 13.39 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.665 2.244 . . . . 72.45 112.375 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.42 -34.92 79.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 54.35 111.051 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -65.28 -54.76 24.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 72.42 110.934 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.12 -45.36 93.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 73.2 110.886 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.63 -50.08 55.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 75.44 111.047 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.2 mtt -77.32 -26.7 52.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 72.33 110.861 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.66 -29.27 69.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 75.11 111.137 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -88.22 29.03 0.99 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 74.04 110.908 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.0 t0 46.57 28.16 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 75.42 110.948 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.77 5.16 49.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 64.21 110.91 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.457 ' HG2' ' HG3' ' A' ' 66' ' ' MET . 0.0 OUTLIER -165.82 152.19 9.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 74.15 110.883 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -117.25 108.92 16.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 74.14 110.884 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.7 m -115.65 139.94 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 74.54 111.082 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -132.38 113.31 13.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 71.54 110.835 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.75 167.55 27.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.646 -0.788 . . . . 73.23 112.411 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.03 120.31 7.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 74.11 110.863 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 53.3 t -42.18 -43.35 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 74.34 111.171 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -46.75 72.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.064 -0.516 . . . . 74.25 110.972 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.78 -54.62 14.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 75.13 110.933 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.404 ' O ' ' CG ' ' A' ' 200' ' ' PLM . 2.8 pp -71.11 -15.59 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 70.21 111.134 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -83.62 -10.65 58.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 75.32 110.874 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -75.81 -37.56 59.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 65.23 110.93 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.9 mp -84.96 -6.21 59.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.32 110.914 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.614 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 10.9 mt-10 -64.15 -53.35 48.36 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.677 0.751 . . . . 72.44 110.883 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.614 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.6 Cg_endo -69.83 -8.54 23.85 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.675 2.25 . . . . 73.23 112.369 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -96.18 -17.25 20.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 74.43 110.82 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.4 HD11 ' CE ' ' A' ' 200' ' ' PLM . 18.0 mt -54.93 -47.37 76.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 75.54 111.132 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.0 80.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 64.22 111.117 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.1 m -50.95 -30.31 14.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 72.33 110.877 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 31.9 mt -63.67 171.43 2.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 72.53 110.934 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 73.04 110.919 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' PLM . . . . . 0.404 ' CG ' ' O ' ' A' ' 99' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ptt? . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.83 0.348 . . . . 64.21 110.822 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.44 138.07 31.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 72.42 110.825 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.66 173.15 8.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 75.02 110.916 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -59.59 4.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 74.23 110.887 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.71 -32.11 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 70.22 110.879 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -53.62 -50.91 64.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 71.01 110.875 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -52.1 -39.89 60.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 65.44 110.853 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.5 t -52.26 -59.98 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.3 111.165 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -49.65 -45.81 48.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 72.03 110.93 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.54 -44.4 89.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 71.4 111.056 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -64.1 -53.25 52.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 75.44 110.909 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.459 HG22 ' C8 ' ' A' ' 200' ' ' PLM . 44.5 mt -56.94 -55.14 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 74.53 111.153 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.58 -53.41 38.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 70.53 111.069 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -54.09 -29.72 45.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.851 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -33.89 65.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 75.52 110.903 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.3 mt -65.69 -21.84 66.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 72.43 110.959 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -54.68 -22.95 15.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 73.03 110.838 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 t -85.49 -23.51 27.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 72.22 110.91 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.3 mt -49.6 104.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 72.51 111.146 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.41 143.38 27.98 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.676 0.751 . . . . 72.22 110.844 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -17.3 37.66 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.721 2.281 . . . . 74.12 112.3 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.5 -5.7 44.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 74.42 111.15 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -169.08 103.33 0.38 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 71.22 110.885 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.52 174.68 9.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 74.13 110.932 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -128.02 -59.52 1.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 73.4 110.916 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.3 t -145.13 112.0 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 63.1 111.128 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.57 124.58 51.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 64.43 110.853 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -171.17 -179.51 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 70.02 110.911 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -86.07 128.04 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 63.33 111.152 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -107.72 173.24 6.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 74.21 110.942 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -139.83 130.51 25.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.933 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -127.34 133.0 50.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 73.13 110.81 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.2 mtt85 -118.09 134.05 55.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 75.14 110.847 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.6 mm -109.53 93.76 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 73.2 111.108 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 36.2 p -92.37 137.6 32.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 73.35 111.189 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -117.78 98.52 6.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 72.11 110.964 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 105.2 -64.91 0.3 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.814 -0.708 . . . . 70.31 112.473 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.71 6.57 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.882 -0.675 . . . . 74.12 112.596 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -139.98 158.65 43.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.763 0.316 . . . . 63.31 110.886 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.9 t -70.06 141.62 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 74.42 111.06 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.3 p -121.21 -18.77 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 75.34 111.133 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -168.05 163.39 13.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 71.04 110.905 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -113.42 152.52 29.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 75.53 110.946 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -142.33 156.89 45.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 75.24 110.937 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.9 p -146.88 138.53 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 64.32 111.155 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -99.54 119.22 37.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 72.43 110.843 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -98.08 95.15 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 72.4 110.873 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.7 mt -79.38 0.69 28.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 74.54 110.892 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.73 -55.52 4.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 71.42 110.907 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -88.6 -7.76 55.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 70.51 110.855 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.5 t 69.02 45.13 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 74.43 111.173 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -149.58 137.51 20.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.13 110.888 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.81 139.82 31.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 71.22 110.938 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 m -138.95 161.13 29.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 72.4 111.13 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.09 107.52 18.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 73.52 110.855 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.49 164.46 12.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 73.41 110.855 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -117.73 117.09 28.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.125 -0.489 . . . . 73.11 110.844 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -148.04 157.83 43.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 64.52 110.897 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.64 93.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 72.52 111.036 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.27 146.71 24.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 73.22 111.101 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.58 -21.58 66.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 63.55 110.857 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.34 124.37 15.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 72.13 111.067 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 53.9 m -98.26 128.54 44.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 73.24 111.152 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.04 111.19 16.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 72.11 110.978 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.97 129.55 55.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 75.21 111.129 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.31 162.33 35.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.9 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -92.38 160.94 14.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 74.44 110.926 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.4 -57.97 5.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.85 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.76 -33.57 23.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 74.02 110.823 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 15.1 mm -74.88 -33.32 29.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 73.31 111.108 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.4 mmt -60.16 -47.98 83.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.484 . . . . 75.0 110.837 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -71.35 -30.39 66.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 72.11 110.906 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.92 -59.38 2.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 73.3 111.094 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 57.8 mt -72.7 -35.36 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 64.21 111.131 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.11 -41.6 38.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 64.3 112.484 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.2 t -98.79 4.44 47.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.879 0.371 . . . . 74.33 111.192 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.67 31.91 81.44 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.716 -0.754 . . . . 73.41 112.502 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.64 -37.82 87.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 75.45 111.117 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.74 159.4 56.0 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.635 0.731 . . . . 75.14 110.927 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 119.42 6.37 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.705 2.27 . . . . 72.45 112.324 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.61 -26.23 68.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 54.35 111.073 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -56.42 6.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.296 -0.411 . . . . 72.42 110.872 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -63.05 -44.38 96.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 73.2 110.92 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.52 -51.3 56.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.488 . . . . 75.44 111.153 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.2 mtt -75.88 -26.64 57.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.852 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.63 -33.22 71.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 75.11 111.093 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -87.95 28.14 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 74.04 110.955 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 47.57 28.56 1.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 75.42 110.914 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.08 6.75 46.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 64.21 110.801 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 1.6 mtm -150.4 142.48 24.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 74.15 110.876 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -117.52 108.85 16.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 74.14 110.863 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.4 t -131.41 139.01 51.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 74.54 111.13 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -131.1 113.37 13.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 71.54 110.873 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.88 167.55 27.74 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.717 -0.754 . . . . 73.23 112.441 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.62 119.19 4.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 74.11 110.902 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.9 t -42.75 -44.29 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 74.34 111.1 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.92 -50.37 73.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 74.25 110.93 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 70.1 mt -48.3 -54.33 14.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 75.13 110.919 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 28.9 pt -70.25 -21.77 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 70.21 111.146 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -79.63 -13.9 59.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 75.32 110.824 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.56 -40.89 56.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 65.23 111.005 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.5 mp -82.42 -7.05 59.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.93 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.579 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 13.4 mt-10 -62.52 -55.31 40.5 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.662 0.744 . . . . 72.44 110.909 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.579 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.9 Cg_endo -69.76 -9.08 25.23 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.721 2.28 . . . . 73.23 112.362 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -95.54 -16.97 21.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 74.43 110.879 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.2 mt -55.3 -46.16 78.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 75.54 111.14 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.19 -37.99 89.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 64.22 111.073 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.9 -37.89 33.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 72.33 110.904 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.2 mp -50.88 170.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 72.53 110.985 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 73.04 110.881 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' PLM . . . . . 0.459 ' C8 ' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.763 0.316 . . . . 64.21 110.856 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -128.4 132.76 48.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 72.42 110.887 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.1 165.19 16.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 75.02 110.918 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.87 -62.26 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 74.23 110.884 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 p -44.63 -30.88 0.99 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 70.22 110.866 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.22 -50.0 68.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 71.01 110.884 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -53.22 -39.18 63.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 65.44 110.887 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.3 t -57.46 -57.94 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 74.3 111.134 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -48.7 -44.51 38.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 72.03 110.923 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.18 -49.3 74.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 71.4 111.113 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -51.48 -51.84 51.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 75.44 110.893 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.465 HG22 ' H82' ' A' ' 200' ' ' PLM . 32.3 mt -51.88 -58.91 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.53 111.191 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.74 -49.97 35.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 70.53 111.119 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -43.58 76.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 74.23 110.937 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -58.46 -37.25 75.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 75.52 110.923 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 mt -61.74 -18.78 61.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 72.43 110.981 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -80.63 -16.97 52.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 73.03 110.962 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.9 m -74.48 -46.11 41.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 72.22 110.845 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.4 mp -48.14 104.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 72.51 111.11 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.79 144.07 47.8 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.579 0.704 . . . . 72.22 110.882 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -21.49 33.44 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.676 2.251 . . . . 74.12 112.38 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.92 8.88 21.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 74.42 111.13 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -167.27 104.59 0.54 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 71.22 110.864 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 -109.47 175.26 5.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 74.13 110.928 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -115.34 -79.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 73.4 110.958 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.4 t -142.66 101.73 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 63.1 111.12 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -82.91 126.43 32.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 64.43 110.878 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -169.36 170.69 8.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 70.02 110.879 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.6 t -98.62 136.27 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 63.33 111.097 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -126.66 166.89 16.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.252 -0.431 . . . . 74.21 110.891 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -139.06 137.88 36.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 74.42 110.869 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.26 150.1 34.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 73.13 110.921 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.22 126.34 45.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 75.14 110.895 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.1 mm -107.34 92.43 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 73.2 111.196 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.9 p -92.98 137.87 31.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 73.35 111.175 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.07 97.61 7.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 72.11 110.965 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.59 -51.6 2.35 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.694 -0.765 . . . . 70.31 112.457 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.03 -20.08 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 74.12 112.494 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.62 141.51 43.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 63.31 110.898 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.3 p -58.31 147.06 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 74.42 111.071 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.2 p -123.51 -19.25 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 75.34 111.138 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.13 165.17 3.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 71.04 110.877 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.15 153.22 31.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 75.53 110.872 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.422 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.6 OUTLIER -132.3 149.87 52.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.473 . . . . 75.24 110.94 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 82.6 t -126.21 138.74 53.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 64.32 111.143 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -100.53 97.53 8.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 72.43 110.898 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -83.7 91.92 7.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 72.4 110.919 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.9 mp -81.92 -3.49 54.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 74.54 110.942 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -86.21 -56.13 3.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 71.42 110.931 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.95 -9.43 51.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 70.51 110.86 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.1 t 69.89 48.72 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 74.43 111.103 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -148.1 122.85 9.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 74.13 110.899 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 mp -83.7 100.34 10.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 71.22 110.902 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 m -96.22 175.77 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 72.4 111.11 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.422 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 2.3 pt-20 -109.44 113.44 26.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.483 . . . . 73.52 110.932 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.72 166.23 15.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 73.41 110.843 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.27 117.39 25.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.095 -0.502 . . . . 73.11 110.803 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.66 162.82 40.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 64.52 110.832 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.01 90.8 2.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 72.52 111.078 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.42 159.48 15.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 73.22 111.123 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.58 -25.82 68.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 63.55 110.93 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.0 124.35 19.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 72.13 111.141 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.8 m -112.8 123.68 50.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 73.24 111.123 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.06 104.58 12.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 72.11 110.91 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.457 ' O ' ' HG3' ' A' ' 66' ' ' MET . 1.8 m -99.22 124.54 44.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.257 -0.429 . . . . 75.21 111.174 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.457 ' HG3' ' O ' ' A' ' 65' ' ' THR . 2.0 mtp -153.47 141.37 20.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 74.32 110.868 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.61 157.09 38.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 74.44 110.862 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.62 -56.66 6.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 75.34 110.816 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.458 ' O ' ' CE2' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -49.87 -33.41 16.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 74.02 110.863 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.1 mm -83.72 -22.24 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 73.31 111.124 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 29.5 tpp -61.02 -53.04 62.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 75.0 110.902 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.503 ' C ' ' CD1' ' A' ' 72' ' ' PHE . 3.0 p90 -68.07 -29.34 68.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 72.11 110.823 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.67 -60.31 2.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 73.3 111.133 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.1 mm -59.47 -47.32 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.389 . . . . 64.21 111.128 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -53.1 -33.85 45.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 64.3 112.433 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 69.2 p -99.25 4.34 46.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 74.33 111.131 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.39 44.06 98.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.741 . . . . 73.41 112.515 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.32 -42.4 9.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 75.45 111.098 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.6 mt -107.32 146.55 33.48 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.625 0.726 . . . . 75.14 110.884 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 114.01 3.57 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.271 . . . . 72.45 112.309 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.19 -31.7 65.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 54.35 111.051 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -71.1 -53.05 15.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 72.42 110.927 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.61 -44.91 95.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 73.2 110.885 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.04 -51.6 51.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 75.44 111.09 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.2 mtt -75.85 -26.84 57.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 72.33 110.863 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.38 -32.63 70.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 75.11 111.142 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -90.16 27.79 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 74.04 110.91 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 46.85 29.47 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 75.42 110.909 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.94 5.45 51.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 64.21 110.868 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -160.14 150.54 18.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 74.15 110.836 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -121.34 107.95 13.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 74.14 110.955 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.9 p -112.85 137.47 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 74.54 111.129 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -130.55 112.26 13.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 71.54 110.871 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.1 167.45 26.77 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 73.23 112.489 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -58.22 125.15 21.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.877 0.37 . . . . 74.11 110.905 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 67.0 t -42.22 -49.11 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 74.34 111.099 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -61.16 -47.21 87.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 74.25 110.94 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -47.92 -54.25 13.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 75.13 110.921 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.461 ' O ' ' CG ' ' A' ' 200' ' ' PLM . 33.2 pt -68.73 -25.82 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 70.21 111.098 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -76.16 -16.31 59.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 75.32 110.892 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -75.72 -31.76 59.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 65.23 110.925 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.452 ' HG ' ' C8 ' ' A' ' 200' ' ' PLM . 5.5 mp -86.19 -8.61 57.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.32 110.98 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.635 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 27.1 mt-10 -63.64 -51.35 66.77 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.695 0.76 . . . . 72.44 110.934 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.4 Cg_endo -69.79 -10.1 27.7 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.714 2.276 . . . . 73.23 112.34 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -95.59 -17.23 21.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.862 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 24.7 mt -56.0 -44.83 79.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 75.54 111.095 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.65 -41.88 91.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 64.22 111.112 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.83 -27.41 7.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 72.33 110.891 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.9 mt -73.31 171.17 13.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 72.53 110.926 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 52.2 tttt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 73.04 110.907 179.799 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' PLM . . . . . 0.465 ' H82' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.805 0.336 . . . . 64.21 110.817 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 p -95.17 128.65 42.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 72.42 110.847 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.492 ' CD1' ' N ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -121.49 151.9 39.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 75.02 110.979 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.5 -42.38 22.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 74.23 110.949 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.459 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 0.9 OUTLIER -44.99 -28.24 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 70.22 110.911 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -54.24 -43.47 70.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 71.01 110.91 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -55.01 -37.2 66.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 65.44 110.852 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.459 ' HB ' ' O ' ' A' ' 5' ' ' SER . 32.5 t -53.81 -61.17 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 74.3 111.107 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -49.42 -43.34 44.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 72.03 110.903 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.84 92.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 71.4 111.077 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -54.31 -48.55 71.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 75.44 110.876 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.5 mt -53.78 -50.89 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 74.53 111.148 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.74 -52.71 63.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 70.53 111.08 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -29.52 58.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 74.23 110.803 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -34.69 67.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.29 -0.414 . . . . 75.52 110.886 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.1 mt -63.14 -28.62 70.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 72.43 110.908 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -57.18 -24.0 51.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 73.03 110.882 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.51 -25.43 57.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 72.22 110.917 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.0 mt -49.47 105.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.515 . . . . 72.51 111.147 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.72 144.56 28.06 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.603 0.716 . . . . 72.22 110.873 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -16.11 37.37 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.725 2.284 . . . . 74.12 112.357 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.15 -4.91 41.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 74.42 111.134 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.66 104.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 71.22 110.853 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.2 mmm-85 -111.23 176.82 4.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 74.13 110.841 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -119.83 -79.88 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 73.4 110.945 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.8 p -141.95 114.19 3.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 63.1 111.123 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.08 125.18 50.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 64.43 110.891 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.61 179.05 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 70.02 110.894 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.9 t -94.45 127.31 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 63.33 111.143 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -117.78 172.53 7.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.961 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -137.77 133.86 34.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 74.42 110.928 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.41 115.68 19.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 73.13 110.911 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.9 133.36 38.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 75.14 110.89 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.7 mm -115.34 135.84 54.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 73.2 111.16 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.6 p -119.12 136.83 53.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 73.35 111.139 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -152.81 98.77 2.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 72.11 110.946 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.88 7.34 17.64 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.717 -0.754 . . . . 70.31 112.483 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.4 -17.51 28.59 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.714 -0.755 . . . . 74.12 112.488 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.07 161.0 38.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 63.31 110.913 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.3 t -53.91 124.8 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 74.42 111.174 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.7 p -86.97 -34.99 8.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 75.34 111.135 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.71 149.54 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 71.04 110.877 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -86.68 162.12 18.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 75.53 110.867 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.466 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.7 OUTLIER -138.25 149.92 46.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 75.24 110.83 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.3 t -124.62 141.06 45.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 64.32 111.113 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -100.29 101.55 12.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 72.43 110.908 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.37 80.49 7.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 72.4 110.933 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mp -74.33 -14.3 60.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 74.54 110.89 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -81.72 -51.6 8.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 71.42 110.872 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -85.66 -5.86 59.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 70.51 110.878 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.5 t 69.25 46.68 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 74.43 111.128 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -147.91 171.19 16.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.881 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 mp -131.18 100.74 5.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 71.22 110.891 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -99.43 172.1 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 72.4 111.115 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.466 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.1 pp20? -104.63 110.85 23.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 73.52 110.897 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.07 166.74 15.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 73.41 110.91 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.2 117.88 23.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 73.11 110.883 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.52 163.02 38.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 64.52 110.875 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.34 92.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 72.52 111.103 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.49 149.73 20.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 73.22 111.088 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.19 -22.21 66.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 63.55 110.928 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.56 123.79 19.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 72.13 111.068 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.2 m -101.3 125.66 47.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 73.24 111.158 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mt -121.01 104.99 10.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 72.11 110.941 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.89 126.83 48.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 75.21 111.138 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 4.9 mtt -154.13 141.57 19.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 74.32 110.903 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -74.18 154.88 38.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.908 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.96 -55.29 15.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 75.34 110.875 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.402 ' O ' ' CE2' ' A' ' 72' ' ' PHE . 4.2 m-20 -51.4 -28.95 14.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 74.02 110.826 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.7 mm -83.45 -22.83 8.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 73.31 111.205 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.473 ' CG ' ' N ' ' A' ' 72' ' ' PHE . 1.2 ptt? -61.75 -46.47 89.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 75.0 110.915 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.496 ' C ' ' CD1' ' A' ' 72' ' ' PHE . 2.9 p90 -76.95 -28.55 55.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 72.11 110.917 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.95 -59.44 3.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 73.3 111.121 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 53.8 mt -75.62 -32.86 25.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 64.21 111.112 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.85 -41.42 44.23 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.761 -0.733 . . . . 64.3 112.493 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.2 t -98.5 12.34 35.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 74.33 111.164 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 58.0 30.03 63.0 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.688 -0.768 . . . . 73.41 112.489 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.02 -40.91 74.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.76 0.314 . . . . 75.45 111.051 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.2 mt -121.38 157.83 55.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.613 0.72 . . . . 75.14 110.912 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 117.44 5.08 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.681 2.254 . . . . 72.45 112.343 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.56 -38.44 81.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 54.35 111.109 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -62.48 -50.53 71.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 72.42 110.905 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.34 -45.09 95.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 73.2 110.896 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.92 -50.42 57.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.493 . . . . 75.44 111.144 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.9 mtt -76.11 -26.86 56.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.931 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.96 -31.54 71.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 75.11 111.121 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -88.83 28.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 74.04 110.917 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 47.61 27.83 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 75.42 110.866 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.09 3.38 49.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 64.21 110.932 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -158.76 152.34 23.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 74.15 110.865 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -125.29 108.13 11.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 74.14 110.899 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.2 m -121.25 144.32 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 74.54 111.187 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -133.6 112.47 11.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 71.54 110.826 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.61 167.98 28.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.794 -0.717 . . . . 73.23 112.502 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -55.02 115.34 2.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.371 . . . . 74.11 110.914 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.7 t -43.21 -44.42 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 74.34 111.08 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -56.67 -50.1 73.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 74.25 110.891 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 70.8 mt -48.21 -54.1 14.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 75.13 110.927 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.45 ' O ' ' CG ' ' A' ' 200' ' ' PLM . 34.6 pt -70.71 -24.21 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 70.21 111.096 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -77.33 -15.05 59.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 75.32 110.873 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -75.15 -32.52 61.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 65.23 110.924 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.6 mp -87.13 -7.71 57.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 74.32 110.886 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.628 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 12.7 mt-10 -63.52 -52.11 62.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.685 0.755 . . . . 72.44 110.948 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.628 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 54.6 Cg_endo -69.67 -8.48 23.71 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.763 2.309 . . . . 73.23 112.329 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -97.44 -16.6 20.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 74.43 110.965 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 27.1 mt -55.67 -41.03 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 75.54 111.15 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.08 -40.13 82.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 64.22 111.121 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.1 m -49.66 -34.47 18.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 72.33 110.833 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.3 mt -52.04 167.18 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 72.53 110.893 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 73.04 110.879 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' PLM . . . . . 0.45 ' CG ' ' O ' ' A' ' 99' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mmt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.8 0.333 . . . . 64.21 110.869 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.08 152.59 29.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 72.42 110.898 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.01 133.18 36.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 75.02 110.937 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.99 -34.14 1.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.91 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -45.76 -27.03 0.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 70.22 110.894 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -53.71 -47.76 70.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 71.01 110.845 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.26 -38.12 57.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 65.44 110.88 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.6 t -55.05 -58.22 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 74.3 111.221 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -51.57 -43.28 62.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.504 . . . . 72.03 110.881 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.66 -44.19 87.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 71.4 111.133 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -58.09 -51.41 69.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 75.44 110.897 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.5 mt -54.75 -54.14 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 74.53 111.117 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.443 ' O ' ' HG3' ' A' ' 17' ' ' GLU . . . -57.1 -55.52 33.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 70.53 111.173 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -57.51 -30.96 65.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 74.23 110.855 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -37.32 53.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 75.52 110.801 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.422 ' CD2' ' HA ' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -69.98 -20.61 63.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 72.43 110.886 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 13' ' ' ALA . 34.6 mt-10 -64.93 -13.93 58.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 73.03 110.907 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.24 -17.4 60.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 72.22 110.859 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.451 ' CD1' ' H31' ' A' ' 200' ' ' PLM . 44.9 mt -46.15 137.27 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 72.51 111.142 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.3 143.8 31.06 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.612 0.72 . . . . 72.22 110.879 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -7.64 21.57 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.716 2.278 . . . . 74.12 112.318 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.69 -4.3 58.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 74.42 111.093 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.69 107.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 71.22 110.857 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.6 mmm-85 -102.13 176.45 5.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 74.13 110.86 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.476 ' O ' ' HB ' ' A' ' 26' ' ' VAL . 2.6 tp60 -110.07 -48.51 3.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 73.4 110.923 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.476 ' HB ' ' O ' ' A' ' 25' ' ' GLN . 7.8 p 175.76 127.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 63.1 111.177 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -99.34 123.63 43.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 64.43 110.904 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.09 179.34 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 70.02 110.839 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.3 t -103.93 132.83 49.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 63.33 111.122 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -116.98 169.25 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 74.21 110.936 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -138.38 132.23 31.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 74.42 110.869 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.411 ' O ' ' N ' ' A' ' 44' ' ' TRP . 0.3 OUTLIER -127.86 115.3 18.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.905 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.75 133.69 40.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 75.14 110.852 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.1 mm -115.34 112.52 40.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 73.2 111.187 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.6 p -111.45 138.74 47.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 73.35 111.148 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.45 98.22 8.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 72.11 110.856 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.84 -52.17 4.68 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.731 . . . . 70.31 112.467 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.01 -28.61 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.649 -0.786 . . . . 74.12 112.44 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -97.71 161.7 13.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 63.31 110.864 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.3 t -82.39 119.48 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 74.42 111.056 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.8 p -86.35 -35.61 9.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.134 -0.485 . . . . 75.34 111.19 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.46 150.23 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 71.04 110.878 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -90.68 165.49 13.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 75.53 110.889 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.468 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.8 OUTLIER -140.77 142.94 34.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.188 -0.46 . . . . 75.24 110.961 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 71.1 t -124.36 141.56 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 64.32 111.127 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.93 100.08 10.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 72.43 110.871 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.34 85.12 6.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 72.4 110.909 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.3 mp -75.97 -7.95 55.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 74.54 110.894 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -84.66 -55.92 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 71.42 110.904 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -83.86 -5.69 59.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 70.51 110.89 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.4 t 69.53 47.98 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 74.43 111.104 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -148.47 166.17 28.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 74.13 110.936 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.64 100.49 6.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 71.22 110.912 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 m -97.58 176.91 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 72.4 111.112 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.5 pt-20 -109.96 114.23 27.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 73.52 110.866 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.52 167.38 13.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 73.41 110.828 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -125.59 117.49 23.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 73.11 110.896 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.32 163.13 39.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 64.52 110.826 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.77 92.4 1.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 72.52 111.11 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.26 159.15 15.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 73.22 111.064 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -23.45 67.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 63.55 110.914 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.1 123.56 18.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 72.13 111.102 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 74.9 m -102.09 126.2 48.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 73.24 111.204 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.27 105.03 9.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 72.11 110.901 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.87 127.4 46.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 75.21 111.122 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -153.83 141.5 19.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.865 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -76.95 155.7 32.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 74.44 110.85 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.16 -53.13 17.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 75.34 110.812 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.413 ' HA ' ' CE2' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -50.57 -34.19 24.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 74.02 110.801 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 15.3 mm -77.95 -22.63 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 73.31 111.092 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.1 tpp -63.26 -51.13 67.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 75.0 110.886 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.495 ' C ' ' CD1' ' A' ' 72' ' ' PHE . 2.6 p90 -71.63 -29.18 64.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 72.11 110.878 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.36 -59.95 2.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 73.3 111.04 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.1 mt -70.61 -43.38 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 64.21 111.182 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -53.18 -37.99 55.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.747 . . . . 64.3 112.528 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.4 p -93.39 5.86 50.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.822 0.344 . . . . 74.33 111.16 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.49 28.09 64.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 73.41 112.507 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.22 -39.91 65.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 75.45 111.094 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 60.6 mt -120.85 153.53 57.19 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.584 0.707 . . . . 75.14 110.922 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 125.85 12.61 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.735 2.29 . . . . 72.45 112.295 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.77 -28.95 70.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 54.35 111.103 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -56.16 6.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 72.42 110.888 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.62 -44.35 96.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 73.2 110.875 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.81 -52.01 45.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 75.44 111.129 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 7.6 mtm -75.79 -26.29 57.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 72.33 110.881 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.35 -33.32 71.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 75.11 111.083 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -85.92 28.0 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 74.04 110.935 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 t70 47.02 28.38 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 75.42 110.82 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -92.25 2.23 56.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 64.21 110.91 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.8 mtm -150.24 146.34 26.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 74.15 110.873 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -122.11 108.55 13.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 74.14 110.83 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.7 p -123.04 141.18 44.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 74.54 111.098 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -132.5 112.81 12.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 71.54 110.811 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.04 168.18 28.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.805 -0.712 . . . . 73.23 112.544 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -54.64 117.78 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 74.11 110.878 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 84.3 t -43.32 -48.47 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 74.34 111.146 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -51.0 69.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 74.25 110.912 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 40.1 mt -48.34 -54.16 14.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 75.13 110.928 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 36.2 pt -70.44 -22.91 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 70.21 111.047 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -78.23 -14.48 59.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 75.32 110.953 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.7 mt -75.05 -36.33 61.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 65.23 110.909 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.1 mp -86.55 -4.98 59.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 74.32 110.92 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.626 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 8.2 mt-10 -64.64 -52.52 51.09 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.65 0.738 . . . . 72.44 110.823 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.8 Cg_endo -69.78 -7.66 21.63 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.687 2.258 . . . . 73.23 112.331 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -97.72 -17.19 19.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 74.43 110.879 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 27.5 mt -50.98 -38.85 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 75.54 111.139 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.65 -39.59 93.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 64.22 111.08 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -50.82 -32.71 20.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.897 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.7 mt -66.65 171.86 4.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.038 -0.528 . . . . 72.53 110.936 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 13.8 tttm . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 73.04 110.887 179.754 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' PLM . . . . . 0.451 ' H31' ' CD1' ' A' ' 19' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 mmt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.763 0.316 . . . . 64.21 110.853 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.82 129.42 36.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 72.42 110.844 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.94 165.74 8.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 75.02 110.917 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -58.08 9.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 74.23 110.891 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.4 p -45.58 -29.5 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 70.22 110.861 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -54.08 -50.55 66.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.073 -0.512 . . . . 71.01 110.847 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -54.79 -40.34 69.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 65.44 110.852 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.1 t -56.71 -58.08 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 74.3 111.127 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -48.89 -42.41 36.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 72.03 110.875 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.9 -47.82 83.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 71.4 111.154 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 6.7 mmpt? -56.14 -49.94 72.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 75.44 110.854 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.438 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 57.7 mt -54.28 -47.53 68.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 74.53 111.128 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.407 ' HA ' ' HG ' ' A' ' 16' ' ' LEU . . . -66.41 -53.57 34.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 70.53 111.04 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -54.32 -26.18 28.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.279 -0.419 . . . . 74.23 110.88 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -32.88 59.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 75.52 110.92 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 12' ' ' ILE . 8.3 mt -64.67 -28.72 69.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 72.43 110.909 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -55.46 -23.01 23.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 73.03 110.893 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.4 -28.56 52.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 72.22 110.912 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.6 mt -50.64 104.82 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 72.51 111.115 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.63 151.54 40.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.529 0.681 . . . . 72.22 110.949 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -29.16 23.95 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.709 2.273 . . . . 74.12 112.279 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.84 -4.03 35.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 74.42 111.049 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -164.19 104.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.324 -0.398 . . . . 71.22 110.916 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.5 mmm-85 -111.03 -169.54 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 74.13 110.904 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.612 ' O ' HG11 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -163.93 83.47 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 73.4 110.891 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.612 HG11 ' O ' ' A' ' 25' ' ' GLN . 1.0 OUTLIER 52.25 137.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 63.1 111.172 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.68 127.04 14.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 64.43 110.933 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -161.21 176.81 10.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 70.02 110.867 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.4 t -86.86 124.15 40.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 63.33 111.167 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -109.79 171.11 7.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 74.21 110.883 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.45 133.3 45.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.115 -0.493 . . . . 74.42 110.892 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.4 116.08 17.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 73.13 110.877 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -104.73 136.09 44.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 75.14 110.902 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.6 mm -111.43 90.38 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 73.2 111.124 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 40' ' ' VAL . 30.1 p -102.31 154.58 18.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 73.35 111.108 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -125.29 97.91 5.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 72.11 110.909 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.5 -46.84 1.77 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 70.31 112.544 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -177.45 -29.81 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.7 -0.762 . . . . 74.12 112.442 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.49 148.82 24.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 63.31 110.912 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.401 ' HA ' ' HA ' ' A' ' 35' ' ' THR . 9.5 p -80.4 151.04 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 74.42 111.186 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.6 m -125.19 -20.13 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 75.34 111.176 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.99 156.56 22.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 71.04 110.87 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -108.0 157.74 17.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 75.53 110.862 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.44 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -144.62 142.13 29.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 75.24 110.984 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 30.0 t -129.66 141.57 46.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 64.32 111.111 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.7 tpp -101.82 109.71 21.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 72.43 110.893 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.17 86.89 7.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 72.4 110.904 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 mp -76.47 -9.35 58.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 74.54 110.889 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -83.15 -54.03 5.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 71.42 110.9 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.43 -5.79 59.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 70.51 110.857 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.1 t 67.46 44.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 74.43 111.177 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -148.67 166.94 26.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 74.13 110.886 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mp -116.9 139.05 51.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 71.22 110.94 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.2 m -137.06 163.3 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 72.4 111.102 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.44 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 0.6 OUTLIER -98.12 106.89 19.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 73.52 110.928 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.97 166.3 15.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 73.41 110.873 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.23 118.34 23.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 73.11 110.817 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -147.73 163.21 37.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 64.52 110.893 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.67 92.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 72.52 111.097 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.33 155.96 16.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 73.22 111.149 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -63.88 -17.06 62.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 63.55 110.927 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.51 124.53 12.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 72.13 111.129 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.6 m -100.23 128.17 46.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 73.24 111.14 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.44 104.88 8.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 72.11 110.841 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.454 ' O ' ' HG3' ' A' ' 66' ' ' MET . 0.3 OUTLIER -98.42 131.28 44.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 75.21 111.195 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.454 ' HG3' ' O ' ' A' ' 65' ' ' THR . 6.3 mtt -158.01 159.53 36.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 74.32 110.833 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.404 ' O ' ' HB ' ' A' ' 70' ' ' ILE . 50.0 mt-10 -92.19 158.43 16.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 74.44 110.91 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.07 -56.32 15.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.848 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.9 -36.83 63.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 74.02 110.864 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.404 ' HB ' ' O ' ' A' ' 67' ' ' GLU . 13.4 mm -61.78 -43.32 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 73.31 111.146 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -39.24 54.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 75.0 110.819 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -70.06 -31.52 69.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 72.11 110.828 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.36 -59.33 2.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 73.3 111.084 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 81.5 mt -70.31 -46.15 72.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.271 -0.422 . . . . 64.21 111.097 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.53 -37.22 32.71 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 64.3 112.508 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 59.9 p -90.36 -13.05 35.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.828 0.347 . . . . 74.33 111.099 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.86 27.24 54.15 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.673 -0.775 . . . . 73.41 112.516 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.67 -40.08 66.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.783 0.325 . . . . 75.45 111.086 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.8 mt -120.69 151.76 54.79 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.592 0.71 . . . . 75.14 110.904 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 129.28 17.37 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.631 2.221 . . . . 72.45 112.358 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.61 -28.52 69.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 54.35 111.104 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.18 -56.87 5.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 72.42 110.887 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.54 -44.23 96.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 73.2 110.9 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.03 -51.04 57.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 75.44 111.099 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.1 mtt -76.22 -26.49 56.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 72.33 110.872 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.08 -32.84 71.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 75.11 111.145 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -89.9 28.3 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 74.04 110.902 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.1 t0 47.44 27.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 75.42 110.886 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.07 3.03 44.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 64.21 110.88 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.06 149.16 25.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 74.15 110.917 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -119.01 108.51 14.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 74.14 110.862 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.1 m -127.37 139.63 51.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 74.54 111.114 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -131.02 112.99 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 71.54 110.869 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.61 167.74 27.73 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.692 -0.766 . . . . 73.23 112.48 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -54.7 119.25 5.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.869 0.366 . . . . 74.11 110.882 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.0 t -42.47 -38.77 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 74.34 111.088 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -63.26 -49.96 72.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 74.25 110.92 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 80.5 mt -48.3 -55.05 11.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.102 -0.499 . . . . 75.13 110.889 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.9 pp -71.04 -20.05 21.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 70.21 111.127 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -83.52 -13.46 54.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 75.32 110.864 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.26 -37.31 61.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 65.23 110.907 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.414 ' HG ' ' C8 ' ' A' ' 200' ' ' PLM . 6.4 mp -86.95 -3.4 59.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 74.32 110.968 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.625 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 7.7 mt-10 -63.73 -52.31 59.11 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.583 0.706 . . . . 72.44 110.869 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.625 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.0 Cg_endo -69.82 -6.63 19.08 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.654 2.236 . . . . 73.23 112.314 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -93.67 -17.23 23.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 74.43 110.829 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.7 mt -56.02 -41.47 68.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 75.54 111.175 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.0 99.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 64.22 111.127 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.0 m -51.48 -25.52 6.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.451 . . . . 72.33 110.838 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 15.4 mt -72.32 171.07 12.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 72.53 110.908 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 73.04 110.944 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' PLM . . . . . 0.414 ' C8 ' ' HG ' ' A' ' 102' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mmt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.798 0.332 . . . . 64.21 110.84 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.41 126.7 8.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 72.42 110.892 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.61 164.87 0.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 75.02 110.929 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -58.99 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 74.23 110.97 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 p -45.04 -30.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 70.22 110.852 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -54.03 -50.95 65.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 71.01 110.904 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.57 -37.21 48.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 65.44 110.936 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.6 t -61.99 -54.34 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 74.3 111.103 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -48.08 -44.91 32.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 72.03 110.893 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.66 -46.07 87.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 71.4 111.12 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -53.83 40.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.924 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.6 mt -55.5 -48.21 77.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 74.53 111.165 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.472 ' O ' ' HG3' ' A' ' 17' ' ' GLU . . . -60.9 -55.21 35.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 70.53 111.156 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -55.72 -30.08 60.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.869 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.24 -36.56 54.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 75.52 110.861 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.64 -19.13 62.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 72.43 110.9 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 13' ' ' ALA . 35.3 mt-10 -87.03 -9.76 54.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 73.03 110.899 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.2 t -74.08 -42.98 59.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 72.22 110.819 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.0 mp -47.75 104.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 72.51 111.163 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.21 144.64 91.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 72.22 110.873 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 -11.87 31.78 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.776 2.317 . . . . 74.12 112.354 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.25 -4.83 52.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 74.42 111.132 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -173.09 104.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 71.22 110.916 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.0 mmm-85 -108.65 178.53 4.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 74.13 110.894 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -108.3 -83.06 0.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 73.4 110.973 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.1 p -131.45 118.9 41.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 63.1 111.14 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -102.86 125.93 49.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.217 -0.447 . . . . 64.43 110.893 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.73 179.19 3.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 70.02 110.856 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.0 t -101.31 121.74 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 63.33 111.084 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -107.29 161.58 14.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 74.21 110.891 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -126.78 138.46 53.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.887 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.406 ' O ' ' N ' ' A' ' 44' ' ' TRP . 0.3 OUTLIER -136.51 120.78 17.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 73.13 110.841 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -118.49 140.12 50.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 75.14 110.923 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.8 mm -114.29 90.51 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 73.2 111.179 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.9 p -95.1 139.66 31.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 73.35 111.121 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -108.74 97.96 7.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 72.11 110.874 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.9 -43.49 2.28 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.789 -0.72 . . . . 70.31 112.482 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.17 -25.7 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 74.12 112.478 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -103.12 153.72 20.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.806 0.336 . . . . 63.31 110.93 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.9 p -84.9 145.23 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 74.42 111.104 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.2 m -125.58 -5.19 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 75.34 111.152 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.65 165.11 16.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 71.04 110.899 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -126.43 149.84 49.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 75.53 110.898 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.489 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -137.74 146.47 43.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.168 -0.469 . . . . 75.24 110.961 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.2 t -137.87 135.05 45.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 64.32 111.121 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.8 ttm -100.48 113.85 26.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 72.43 110.911 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.36 85.02 5.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 72.4 110.863 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.465 HD21 ' C4 ' ' A' ' 200' ' ' PLM . 11.7 mt -80.31 -9.38 59.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 74.54 110.901 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.51 -47.32 17.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 71.42 110.841 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.7 -3.12 46.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 70.51 110.858 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 t 69.11 48.71 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 74.43 111.133 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -148.79 164.63 33.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 74.13 110.907 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.97 139.82 51.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 71.22 110.953 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.3 m -140.51 166.77 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.454 . . . . 72.4 111.153 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.489 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.8 pm0 -105.5 108.17 19.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 73.52 110.857 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.83 169.54 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 73.41 110.854 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.67 115.19 17.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 73.11 110.838 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -156.74 171.95 19.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 64.52 110.87 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.3 150.3 1.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 72.52 111.083 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -170.89 145.12 2.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 73.22 111.113 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -64.35 -14.78 58.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 63.55 110.835 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -143.27 150.98 40.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 72.13 111.095 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.8 m -140.81 136.42 32.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 73.24 111.133 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 mp -129.1 104.56 7.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 72.11 110.92 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.435 ' C ' ' HG3' ' A' ' 66' ' ' MET . 38.3 m -112.17 139.88 47.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 75.21 111.136 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.435 ' HG3' ' C ' ' A' ' 65' ' ' THR . 0.0 OUTLIER 177.35 -174.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 74.32 110.894 179.817 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -80.21 160.04 25.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 74.44 110.891 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.46 -44.83 93.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 75.34 110.951 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -49.84 -24.23 2.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 74.02 110.832 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 19.9 mm -70.36 -23.64 24.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.186 -0.461 . . . . 73.31 111.112 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 28.2 tpp -61.83 -50.74 71.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 75.0 110.927 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.486 ' C ' ' CD1' ' A' ' 72' ' ' PHE . 4.2 p90 -74.4 -28.0 60.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 72.11 110.88 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.66 -59.29 3.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 73.3 111.123 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.9 mt -79.16 -39.95 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 64.21 111.17 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.25 -40.97 38.45 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 64.3 112.465 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 72.4 p -86.28 -11.71 51.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.75 0.31 . . . . 74.33 111.107 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.49 23.59 67.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.764 -0.731 . . . . 73.41 112.476 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.84 -44.2 73.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 75.45 111.089 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.1 mt -118.14 149.87 46.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.683 0.754 . . . . 75.14 110.842 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 131.08 20.46 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.634 2.222 . . . . 72.45 112.336 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.41 -28.24 69.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.419 . . . . 54.35 111.045 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -71.41 -56.98 4.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 72.42 110.912 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -63.06 -46.93 85.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.309 -0.405 . . . . 73.2 110.887 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.01 -52.53 41.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 75.44 111.058 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.9 mtm -72.57 -26.66 61.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.424 . . . . 72.33 110.866 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.13 -23.2 63.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 75.11 111.078 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -85.83 28.99 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 74.04 110.928 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 49.02 26.86 1.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.909 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.08 -59.41 2.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 64.21 110.889 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -99.83 152.75 19.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 74.15 110.844 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -124.91 109.55 13.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 74.14 110.883 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.6 p -118.6 142.4 33.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 74.54 111.111 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -133.44 112.6 11.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 71.54 110.849 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.06 167.85 27.33 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.695 -0.764 . . . . 73.23 112.445 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.54 116.55 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 74.11 110.925 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.5 t -42.09 -39.35 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 74.34 111.187 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.34 -47.97 74.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.25 110.881 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 55.0 mt -48.62 -54.52 14.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 75.13 110.945 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.421 ' O ' ' CG ' ' A' ' 200' ' ' PLM . 2.8 pp -72.38 -28.79 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 70.21 111.086 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 93.9 t80 -70.52 -13.0 61.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 75.32 110.91 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.37 -35.5 58.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 65.23 110.895 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.3 mp -87.25 -6.67 58.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.883 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.605 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 8.3 mt-10 -63.12 -53.82 51.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.622 0.725 . . . . 72.44 110.87 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.605 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.9 Cg_endo -69.76 -6.95 19.82 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.648 2.232 . . . . 73.23 112.376 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -96.68 -17.79 20.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 74.43 110.896 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.4 mt -57.77 -40.91 78.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 75.54 111.108 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.17 -37.9 84.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 64.22 111.07 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.97 -30.38 14.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 72.33 110.862 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 17.5 mt -66.61 171.58 4.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 72.53 110.902 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 11.5 mttt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 73.04 110.927 179.804 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' PLM . . . . . 0.465 ' C4 ' HD21 ' A' ' 48' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.791 0.329 . . . . 64.21 110.889 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m -110.21 135.0 51.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 72.42 110.877 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -57.99 167.33 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 75.02 110.978 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -69.66 -62.5 1.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 74.23 110.895 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 p -45.02 -30.35 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 70.22 110.85 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.08 -50.62 66.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 71.01 110.866 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.21 -39.31 63.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 65.44 110.845 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -58.92 -58.67 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.3 111.121 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -48.83 -45.12 40.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 72.03 110.873 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.39 -43.59 98.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 71.4 111.114 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -58.49 -50.53 73.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 75.44 110.941 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.3 mt -55.84 -56.68 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.53 111.091 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.91 -52.71 48.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 70.53 111.129 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -54.76 -26.71 36.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.883 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.26 -33.48 59.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 75.52 110.93 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.0 mt -67.03 -21.84 65.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 72.43 110.928 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -53.96 -25.31 20.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 73.03 110.936 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.06 -23.85 41.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 72.22 110.845 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 88.6 mt -49.61 104.4 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 72.51 111.108 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.01 143.25 27.59 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.561 0.696 . . . . 72.22 110.858 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -14.9 36.59 Favored 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.728 2.285 . . . . 74.12 112.368 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.39 -7.08 51.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 74.42 111.13 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -173.44 103.98 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 71.22 110.88 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.73 175.42 6.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 74.13 110.848 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.48 -66.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 73.4 110.893 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 83.9 t -143.99 112.49 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 63.1 111.159 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -109.45 125.65 52.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 64.43 110.883 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -170.11 178.94 3.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 70.02 110.908 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.6 t -91.75 127.61 43.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 63.33 111.072 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -111.14 170.9 7.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.478 . . . . 74.21 110.928 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -134.86 132.28 38.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 74.42 110.895 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 44' ' ' TRP . 0.1 OUTLIER -128.88 114.49 16.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 73.13 110.892 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -97.98 136.68 37.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 75.14 110.838 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.9 mm -115.47 106.73 21.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 73.2 111.141 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 40' ' ' VAL . 6.0 p -107.12 138.0 44.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 73.35 111.131 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.74 97.6 7.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 72.11 110.931 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.39 -53.55 4.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.729 . . . . 70.31 112.559 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.09 -23.88 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.783 -0.722 . . . . 74.12 112.513 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.17 135.63 47.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.335 . . . . 63.31 110.933 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.427 ' HA ' ' HA ' ' A' ' 35' ' ' THR . 7.6 p -58.03 127.66 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.415 . . . . 74.42 111.133 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.3 p -94.45 -31.94 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 75.34 111.103 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.41 151.12 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 71.04 110.921 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -95.08 158.98 15.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 75.53 110.875 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' PHE . 0.6 OUTLIER -138.15 149.86 46.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 75.24 110.923 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.9 t -130.36 141.2 46.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.413 . . . . 64.32 111.147 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -104.93 103.73 13.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 72.43 110.881 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -83.04 89.54 6.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 72.4 110.825 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.9 mp -77.33 -7.5 56.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 74.54 110.907 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -84.11 -55.75 4.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 71.42 110.886 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -84.71 -9.5 58.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 70.51 110.872 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.2 t 67.62 44.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 74.43 111.122 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -148.52 133.34 17.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.906 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.4 mp -84.57 137.17 33.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 71.22 110.949 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.9 m -138.13 163.83 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 72.4 111.104 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.414 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.7 pm0 -101.58 108.9 20.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 73.52 110.909 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.83 166.26 15.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 73.41 110.789 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.89 117.7 23.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 73.11 110.899 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.39 164.22 36.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 64.52 110.892 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.54 91.5 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 72.52 111.128 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.39 151.3 19.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 73.22 111.133 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.15 -18.38 64.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 63.55 110.912 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.93 124.34 13.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.153 -0.476 . . . . 72.13 111.165 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 31.9 m -103.34 128.18 50.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 73.24 111.129 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mp -124.51 104.81 8.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 72.11 110.945 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 m -96.64 130.22 43.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 75.21 111.087 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 31.3 mtt -157.88 158.4 35.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.32 110.869 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -93.21 161.85 14.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 74.44 110.84 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.5 -58.82 4.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 75.34 110.899 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.11 -42.58 60.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.217 -0.447 . . . . 74.02 110.863 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 18.6 mm -58.01 -39.57 72.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 73.31 111.115 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.8 mmt -58.95 -44.23 91.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 75.0 110.807 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -73.06 -30.47 63.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 72.11 110.83 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.19 -59.5 2.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 73.3 111.098 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.8 mt -71.49 -43.77 71.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 64.21 111.165 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -51.42 -35.3 35.77 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 64.3 112.501 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 81.3 p -89.3 -15.09 34.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.822 0.344 . . . . 74.33 111.084 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.34 25.51 56.94 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 73.41 112.525 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.34 -41.09 49.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 75.45 111.136 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.3 mt -118.85 152.79 52.08 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.637 0.732 . . . . 75.14 110.863 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 123.41 10.09 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.675 2.25 . . . . 72.45 112.329 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.32 -31.56 72.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 54.35 111.16 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp -67.86 -54.53 18.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 72.42 110.901 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -59.11 -44.49 91.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 73.2 110.861 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.9 -50.47 57.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 75.44 111.06 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.9 mtt -76.79 -26.6 54.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 72.33 110.946 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.46 -31.43 70.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 75.11 111.095 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -89.01 28.34 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 74.04 110.92 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 48.06 27.65 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 75.42 110.866 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -87.49 2.24 51.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 64.21 110.862 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -159.29 153.07 23.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 74.15 110.914 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -122.55 108.45 13.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 74.14 110.876 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 70.3 t -119.8 140.12 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 74.54 111.117 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -133.15 113.22 12.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 71.54 110.846 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.68 167.84 27.96 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 73.23 112.534 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.47 115.27 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 74.11 110.917 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.6 t -43.03 -43.72 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 74.34 111.14 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -49.48 76.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 74.25 110.896 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 77.8 mt -48.4 -54.12 15.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 75.13 110.888 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 41.1 pt -69.95 -23.12 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 70.21 111.195 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -79.5 -15.78 57.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 75.32 110.868 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.6 mt -76.19 -38.68 56.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 65.23 110.88 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.5 mp -84.04 -7.08 59.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 74.32 110.935 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.611 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 8.5 mt-10 -62.47 -53.28 58.97 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.66 0.743 . . . . 72.44 110.857 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.611 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.4 Cg_endo -69.69 -7.68 21.66 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.701 2.267 . . . . 73.23 112.293 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -98.85 -17.02 18.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.286 -0.416 . . . . 74.43 110.923 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 49.0 mt -49.31 -41.82 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 75.54 111.094 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.6 -40.68 84.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 64.22 111.115 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.627 ' O ' ' C ' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -65.02 -25.1 67.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 72.33 110.851 -179.826 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.627 ' C ' ' O ' ' A' ' 108' ' ' SER . 0.2 OUTLIER -14.69 94.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 72.53 110.925 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.5 tttt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 73.04 110.932 179.864 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' PLM . . . . . 0.42 ' HB2' HD22 ' A' ' 109' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.874 0.368 . . . . 64.21 110.84 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -65.98 137.9 57.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 72.42 110.921 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.98 160.66 24.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 75.02 110.904 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.03 -60.36 3.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.902 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.415 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -44.73 -32.05 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 70.22 110.817 -179.876 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -54.27 -49.6 69.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 71.01 110.924 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -52.03 -37.3 53.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 65.44 110.875 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.415 ' HB ' ' O ' ' A' ' 5' ' ' SER . 95.7 t -52.41 -60.11 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 74.3 111.172 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -49.64 -44.26 47.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 72.03 110.903 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.31 -42.0 98.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 71.4 111.11 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -60.24 -53.71 54.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 75.44 110.907 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.7 mt -54.45 -54.99 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 74.53 111.182 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.72 -52.26 63.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 70.53 111.066 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -54.12 -30.23 48.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 74.23 110.899 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.28 -33.89 65.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 75.52 110.931 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.4 mt -67.47 -20.79 65.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 72.43 110.863 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -56.88 -24.03 48.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 73.03 110.868 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 m -81.16 -18.26 46.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 72.22 110.877 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 89.5 mt -50.31 104.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 72.51 111.15 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.09 143.93 29.75 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.61 0.719 . . . . 72.22 110.861 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -14.39 36.16 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.75 2.3 . . . . 74.12 112.311 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.77 -7.29 52.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 74.42 111.101 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -174.52 104.41 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 71.22 110.83 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.57 177.12 6.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.777 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -119.28 -40.85 2.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 73.4 110.923 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 p -176.85 131.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 63.1 111.118 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -110.36 125.16 52.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 64.43 110.838 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -170.68 179.09 3.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 70.02 110.801 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.3 t -100.84 133.38 44.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.222 -0.445 . . . . 63.33 111.138 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -121.36 160.51 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.923 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -127.28 135.36 50.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 74.42 110.966 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.85 122.49 36.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 73.13 110.83 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -107.14 130.7 54.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 75.14 110.915 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.5 mm -111.01 90.41 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 73.2 111.09 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.455 ' CG2' ' C ' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -85.57 164.94 17.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 73.35 111.158 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -129.06 96.63 4.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 72.11 110.89 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.68 -48.77 2.3 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.8 -0.714 . . . . 70.31 112.462 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 165.13 3.46 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.807 -0.711 . . . . 74.12 112.53 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.455 ' C ' ' CG2' ' A' ' 35' ' ' THR . 1.3 mtmt -123.93 123.45 40.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.799 0.333 . . . . 63.31 110.911 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.42 ' HA ' HG22 ' A' ' 35' ' ' THR . 7.4 p -44.91 130.99 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 74.42 111.203 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 m -125.62 -33.24 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 75.34 111.053 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.56 158.54 37.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 71.04 110.859 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.86 151.03 39.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 75.53 110.886 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.401 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -135.56 149.02 49.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 75.24 110.907 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.5 143.44 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 64.32 111.133 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.24 100.35 11.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.862 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.46 80.86 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 72.4 110.905 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.0 mp -72.63 -11.67 60.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 74.54 110.945 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.8 -52.82 6.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 71.42 110.962 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -84.5 -6.4 59.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 70.51 110.837 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.4 t 68.99 46.23 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 74.43 111.136 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.86 166.88 27.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 74.13 110.854 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.9 mp -124.23 104.89 9.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 71.22 110.947 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 m -103.45 174.57 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 72.4 111.136 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.401 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.4 pm0 -106.97 110.75 22.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 73.52 110.916 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.04 165.69 11.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 73.41 110.805 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.66 115.67 22.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.499 . . . . 73.11 110.887 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -155.53 168.06 28.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 64.52 110.898 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.43 159.23 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 72.52 111.087 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -169.01 142.37 2.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 73.22 111.126 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.56 -23.54 67.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 63.55 110.924 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -140.05 124.15 17.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 72.13 111.048 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 83.2 m -103.57 128.48 50.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 73.24 111.101 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.31 119.0 27.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 72.11 110.879 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.51 130.76 56.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 75.21 111.136 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 4.1 mtm -154.02 140.7 18.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 74.32 110.884 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -74.02 154.05 39.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.9 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.95 -53.65 18.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 75.34 110.904 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.4 ' O ' ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -50.65 -30.04 12.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 74.02 110.894 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 19.1 mm -83.42 -23.13 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 73.31 111.141 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.6 ttp -60.05 -51.27 70.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 75.0 110.955 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.484 ' C ' ' CD1' ' A' ' 72' ' ' PHE . 3.3 p90 -72.17 -28.68 63.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 72.11 110.933 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.96 -59.72 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 73.3 111.105 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 57.9 mt -72.18 -40.61 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 64.21 111.17 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.55 -39.28 53.18 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.757 -0.735 . . . . 64.3 112.398 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 71.3 p -94.42 7.53 45.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 74.33 111.206 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 58.48 29.66 63.93 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.747 -0.74 . . . . 73.41 112.522 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.19 -40.31 68.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.768 0.318 . . . . 75.45 111.064 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 25.6 mt -118.62 155.57 52.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.51 0.671 . . . . 75.14 110.969 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 123.11 9.77 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.685 2.257 . . . . 72.45 112.31 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.14 -32.05 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 54.35 111.102 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -69.31 -57.2 5.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 72.42 110.913 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.55 -43.58 84.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 73.2 110.921 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.06 -51.12 56.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 75.44 111.094 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.5 mtt -75.85 -26.8 57.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 72.33 110.886 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.18 -32.07 70.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 75.11 111.119 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -90.09 27.67 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 74.04 110.853 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 46.48 29.83 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 75.42 110.861 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.83 10.07 36.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 64.21 110.944 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 1.6 mtm -154.39 144.6 22.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 74.15 110.868 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -119.97 108.7 14.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.887 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.8 p -128.58 141.13 47.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 74.54 111.171 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -131.59 113.48 13.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 71.54 110.836 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.9 167.92 28.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 73.23 112.488 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -54.26 118.51 4.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.348 . . . . 74.11 110.957 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.41 ' O ' HG13 ' A' ' 99' ' ' ILE . 79.9 t -42.55 -42.61 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 74.34 111.155 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -62.98 -48.72 77.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 74.25 110.925 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 79.1 mt -48.7 -54.82 13.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 75.13 110.963 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 96' ' ' VAL . 2.8 pp -72.34 -27.11 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 70.21 111.191 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -72.64 -15.11 61.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 75.32 110.862 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 22.1 mt -75.72 -34.02 60.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 65.23 110.899 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.5 mp -84.64 -8.59 58.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.926 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.618 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 23.1 mt-10 -63.07 -53.11 57.73 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.677 0.751 . . . . 72.44 110.945 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.618 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.7 Cg_endo -69.74 -7.75 21.85 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 73.23 112.413 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -97.73 -17.23 19.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.874 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 24.2 mt -51.9 -45.58 39.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 75.54 111.13 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.74 -35.87 77.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 64.22 111.134 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.0 m -50.6 -29.49 11.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 72.33 110.884 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.1 mp -71.39 171.22 11.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 72.53 110.94 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 73.04 110.935 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.8 0.333 . . . . 64.21 110.875 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -120.91 122.22 39.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 72.42 110.947 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.95 176.34 3.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 75.02 110.949 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -63.11 1.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 74.23 110.892 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.0 p -44.3 -31.25 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 70.22 110.881 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -54.08 -50.54 66.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.127 -0.488 . . . . 71.01 110.892 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.69 -39.2 61.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 65.44 110.941 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.9 t -56.94 -59.69 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 74.3 111.087 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -48.92 -45.4 41.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 72.03 110.874 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.13 -48.98 79.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 71.4 111.145 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.44 -50.57 64.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 75.44 110.929 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.444 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 12.6 mt -57.75 -56.36 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 74.53 111.132 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.46 -54.88 26.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 70.53 111.068 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -27.19 52.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 74.23 110.899 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.85 -35.95 57.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 75.52 110.852 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 12' ' ' ILE . 61.3 mt -64.59 -22.62 67.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 72.43 110.905 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -54.22 -26.17 27.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 73.03 110.917 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.97 -21.15 57.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 72.22 110.92 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 83.6 mt -48.58 104.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 72.51 111.186 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.66 144.14 30.0 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.551 0.691 . . . . 72.22 110.868 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.74 -11.11 30.19 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.686 2.258 . . . . 74.12 112.37 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.58 -12.61 60.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 74.42 111.058 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -172.08 117.09 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 71.22 110.902 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.01 -179.77 5.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 74.13 110.85 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -125.27 -40.28 2.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 73.4 110.959 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.426 ' O ' ' CG1' ' A' ' 26' ' ' VAL . 5.2 p -176.11 123.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 63.1 111.079 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -106.87 125.86 51.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.119 -0.491 . . . . 64.43 110.882 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.2 p-80 -170.23 179.1 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 70.02 110.849 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.3 t -95.38 135.84 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 63.33 111.092 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -118.12 165.72 13.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 74.21 110.962 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -139.25 135.88 34.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.904 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.56 127.33 42.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.896 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -106.55 139.27 41.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 75.14 110.863 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.2 mm -121.13 130.16 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 73.2 111.135 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.6 p -122.97 138.26 54.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 73.35 111.09 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -152.09 105.79 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 72.11 110.877 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.21 12.49 21.7 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.778 -0.725 . . . . 70.31 112.554 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.67 -12.97 59.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 74.12 112.497 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.98 157.69 46.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 63.31 110.872 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 p -56.82 124.41 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 74.42 111.157 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.0 p -87.8 -33.31 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 75.34 111.155 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.2 145.97 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 71.04 110.873 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -86.73 161.72 18.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 75.53 110.922 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -143.41 150.17 38.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 75.24 110.883 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.9 p -134.14 143.15 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 64.32 111.166 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -99.12 107.62 20.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 72.43 110.864 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -83.91 86.32 7.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 72.4 110.885 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.8 mp -73.42 -7.31 51.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 74.54 111.0 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -84.08 -54.72 4.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 71.42 110.882 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.11 -9.11 58.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 70.51 110.941 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.9 t 67.13 43.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 74.43 111.187 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.2 tptm -149.85 134.83 17.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 74.13 110.88 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.1 mp -84.48 137.38 33.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 71.22 110.934 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 m -137.22 166.76 24.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.24 -0.437 . . . . 72.4 111.078 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.43 107.43 18.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 73.52 110.897 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.54 164.18 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 73.41 110.831 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.73 116.71 27.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 73.11 110.887 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.27 157.76 43.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 64.52 110.901 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.9 92.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 72.52 111.128 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.1 149.17 21.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 73.22 111.048 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.37 -23.24 67.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.476 . . . . 63.55 110.888 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -140.63 124.36 17.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 72.13 111.106 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 82.6 m -103.84 129.34 51.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 73.24 111.11 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.08 112.37 15.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 72.11 110.956 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -101.27 131.57 47.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 75.21 111.147 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.403 ' HG3' ' HG2' ' A' ' 90' ' ' MET . 0.3 OUTLIER -157.99 156.81 31.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.299 -0.41 . . . . 74.32 110.885 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -89.01 162.82 15.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 74.44 110.91 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.37 -58.2 5.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 75.34 110.826 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.89 -43.36 59.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 74.02 110.868 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.0 mm -55.22 -47.05 78.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 73.31 111.159 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.49 -43.46 62.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 75.0 110.891 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -70.18 -30.84 68.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 72.11 110.899 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.73 -59.93 2.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 73.3 111.017 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 52.0 mt -69.95 -44.2 78.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 64.21 111.1 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.29 -37.78 48.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 64.3 112.5 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 43.1 p -92.67 -2.14 56.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.838 0.352 . . . . 74.33 111.137 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.79 29.63 73.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.771 -0.728 . . . . 73.41 112.492 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.42 -41.34 27.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.888 0.375 . . . . 75.45 111.073 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.7 mt -117.12 152.56 49.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.621 0.725 . . . . 75.14 110.967 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 120.92 7.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.661 2.241 . . . . 72.45 112.318 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.92 83.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 54.35 111.074 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.12 -56.9 10.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 72.42 110.897 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -44.86 82.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 73.2 110.902 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.35 -50.23 51.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 75.44 111.095 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 7.2 mtt -77.12 -26.6 53.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 72.33 110.89 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.64 -32.54 70.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 75.11 111.078 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -86.72 27.99 0.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 74.04 110.942 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 46.17 28.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 75.42 110.893 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -90.39 5.57 46.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 64.21 110.844 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.403 ' HG2' ' HG3' ' A' ' 66' ' ' MET . 1.1 mpp? -160.29 153.92 22.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 74.15 110.829 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -122.68 108.49 13.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 74.14 110.863 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.0 p -119.38 140.51 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 74.54 111.142 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -131.38 114.24 14.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 71.54 110.9 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.67 167.61 28.59 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.732 -0.747 . . . . 73.23 112.516 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.76 117.92 3.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 74.11 110.884 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 67.9 t -43.65 -51.0 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 74.34 111.195 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -58.27 -49.79 75.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 74.25 110.945 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -48.45 -54.06 15.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 75.13 110.902 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.6 pt -71.29 -20.87 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 70.21 111.165 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -79.78 -13.74 59.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 75.32 110.838 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -75.87 -32.56 59.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 65.23 110.874 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.0 mp -88.39 -5.74 58.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 74.32 110.905 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.564 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 15.9 mt-10 -67.27 -55.68 14.87 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.624 0.726 . . . . 72.44 110.939 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.1 Cg_endo -69.81 -6.26 18.19 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.622 2.215 . . . . 73.23 112.323 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -98.46 -18.06 18.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 74.43 110.859 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.2 mt -53.09 -27.63 13.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 75.54 111.163 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.29 -43.49 94.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 64.22 111.113 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.5 -24.98 5.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 72.33 110.874 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.38 172.09 13.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 72.53 110.964 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 73.04 110.93 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 ptt? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.741 0.305 . . . . 64.21 110.938 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.0 m -114.89 134.52 55.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.415 . . . . 72.42 110.88 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.72 179.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.497 . . . . 75.02 110.871 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -42.79 -33.56 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 74.23 110.838 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.44 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 15.0 p -44.78 -27.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 70.22 110.824 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -53.67 -47.43 70.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 71.01 110.85 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -52.74 -38.42 60.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 65.44 110.901 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.44 ' HB ' ' O ' ' A' ' 5' ' ' SER . 67.4 t -50.01 -61.73 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 74.3 111.091 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -50.82 -43.02 58.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 72.03 110.861 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.88 -44.54 96.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 71.4 111.16 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -56.83 -50.12 73.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.93 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.1 mt -57.54 -49.19 81.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 74.53 111.125 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.49 -53.91 52.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 70.53 111.108 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -52.58 -25.34 10.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 74.23 110.933 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -77.73 -30.77 51.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 75.52 110.845 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.8 mt -71.3 -18.85 62.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 72.43 110.948 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -57.32 -20.64 29.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 73.03 110.924 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 t -91.89 -19.54 22.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 72.22 110.91 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.402 HD11 ' H32' ' A' ' 200' ' ' PLM . 74.4 mt -51.6 104.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 72.51 111.09 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.81 143.15 28.06 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.594 0.711 . . . . 72.22 110.881 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -16.31 37.55 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 74.12 112.296 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.98 -5.59 44.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.298 -0.41 . . . . 74.42 111.171 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -177.64 104.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 71.22 110.874 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.478 ' HA ' ' CZ ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -117.46 -177.37 3.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 74.13 110.952 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.99 -37.04 2.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 73.4 110.927 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.448 ' O ' ' C1 ' ' A' ' 200' ' ' PLM . 8.6 p -176.82 126.36 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 63.1 111.125 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -110.97 124.68 52.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 64.43 110.917 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -170.94 175.19 4.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 70.02 110.81 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.9 t -104.0 129.91 55.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 63.33 111.095 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -122.11 145.6 48.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.87 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -106.9 143.69 34.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 74.42 110.895 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.4 125.96 33.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 73.13 110.887 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.61 140.08 45.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 75.14 110.885 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.5 mm -116.86 90.59 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 73.2 111.136 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.3 p -101.58 165.18 11.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 73.35 111.139 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.39 98.39 4.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 72.11 110.861 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.84 -46.57 1.9 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 70.31 112.531 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 178.27 -29.02 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 74.12 112.471 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -98.16 146.58 25.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 63.31 110.883 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.1 t -77.8 146.63 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.417 . . . . 74.42 111.13 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.1 m -124.93 -21.37 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 75.34 111.155 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.26 152.78 17.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 71.04 110.917 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -107.43 154.4 21.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 75.53 110.845 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.461 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -144.46 150.91 38.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 75.24 110.915 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 p -141.83 140.73 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 64.32 111.098 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.8 ttm -99.31 118.63 36.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 72.43 110.886 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -96.13 89.95 5.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 72.4 110.904 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.4 mt -75.84 -1.65 26.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 74.54 110.941 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.3 mtpt -84.93 -56.01 3.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 71.42 110.894 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -84.69 -8.03 59.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 70.51 110.903 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.2 t 69.06 43.53 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 74.43 111.134 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -149.6 144.72 26.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.891 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.5 mp -92.06 140.36 29.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 71.22 110.862 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 m -140.72 165.1 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 72.4 111.133 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.461 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 4.6 pm0 -102.14 104.21 14.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 73.52 110.878 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.68 162.41 14.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 73.41 110.826 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -122.11 117.4 26.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 73.11 110.851 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -143.53 159.63 42.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 64.52 110.867 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.52 91.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 72.52 111.07 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.08 149.98 21.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 73.22 111.1 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.97 -15.89 60.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 63.55 110.883 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.78 124.45 11.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 72.13 111.117 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.2 m -106.23 131.72 53.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 73.24 111.123 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 mp -129.21 118.24 22.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 72.11 110.908 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.5 m -107.58 134.85 49.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 75.21 111.152 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.407 ' HG3' ' HG2' ' A' ' 90' ' ' MET . 0.0 OUTLIER -160.07 158.12 29.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 74.32 110.889 179.905 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -93.05 161.68 14.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.415 . . . . 74.44 110.856 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.14 -59.01 4.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 75.34 110.921 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.91 -39.87 55.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 74.02 110.896 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.7 mm -63.65 -42.28 95.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 73.31 111.091 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -43.21 61.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 75.0 110.832 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.412 ' HA ' ' CG2' ' A' ' 8' ' ' VAL . 91.2 t80 -69.33 -30.73 68.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 72.11 110.878 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.44 -59.54 2.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 73.3 111.14 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.3 mt -71.85 -36.05 56.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 64.21 111.128 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -48.88 -41.71 28.62 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 64.3 112.457 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.2 t -102.07 11.51 38.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.835 0.35 . . . . 74.33 111.139 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.01 30.11 66.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.76 -0.733 . . . . 73.41 112.448 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.59 -41.55 68.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.338 . . . . 75.45 111.045 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.6 mt -115.16 156.03 45.98 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.662 0.744 . . . . 75.14 110.908 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 109.25 2.27 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.683 2.256 . . . . 72.45 112.302 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.73 -39.48 71.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 54.35 111.098 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -49.63 76.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 72.42 110.894 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.17 -45.71 90.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.46 . . . . 73.2 110.881 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.97 -51.15 55.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 75.44 111.159 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.5 mtt -75.76 -26.67 57.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 72.33 110.847 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.07 -30.69 71.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 75.11 111.068 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -87.94 28.53 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 74.04 110.881 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 48.53 26.59 1.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.415 . . . . 75.42 110.844 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -86.92 1.31 53.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 64.21 110.88 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.407 ' HG2' ' HG3' ' A' ' 66' ' ' MET . 1.2 mpp? -160.17 153.72 22.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 74.15 110.858 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -123.11 108.46 12.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 74.14 110.906 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.3 m -118.01 140.3 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 74.54 111.101 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -131.14 113.16 13.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 71.54 110.895 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.6 168.09 28.26 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.695 -0.764 . . . . 73.23 112.461 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.11 116.05 2.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 74.11 110.949 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 97.4 t -43.05 -42.54 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.34 111.113 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.52 -47.69 82.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 74.25 110.911 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -48.31 -54.14 14.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 75.13 110.91 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 15.7 pt -68.51 -15.87 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 70.21 111.103 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -87.99 -11.92 45.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 75.32 110.873 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.4 mt -74.74 -39.6 61.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 65.23 110.894 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.401 HD23 ' C8 ' ' A' ' 200' ' ' PLM . 7.9 mp -87.04 -3.32 59.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.92 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.595 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 5.1 mt-10 -64.04 -54.26 41.6 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.608 0.718 . . . . 72.44 110.843 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 54.1 Cg_endo -69.71 -7.03 19.99 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.734 2.289 . . . . 73.23 112.363 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -96.0 -16.43 21.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 74.43 110.889 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 18.5 mt -57.35 -39.68 69.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 75.54 111.11 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.59 -38.49 90.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 64.22 111.051 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.2 m -50.45 -29.54 10.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 72.33 110.865 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.3 mt -68.02 171.08 7.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 72.53 110.895 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 73.04 110.953 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' PLM . . . . . 0.448 ' C1 ' ' O ' ' A' ' 26' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 mtm . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.793 0.33 . . . . 64.21 110.826 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.97 133.68 33.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 72.42 110.851 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.99 134.92 34.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 75.02 110.934 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.67 -34.74 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 74.23 110.927 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.5 p -45.2 -26.98 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 70.22 110.916 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -53.6 -47.79 69.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 71.01 110.857 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -52.15 -38.72 58.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 65.44 110.933 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -54.93 -60.81 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 74.3 111.154 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -50.67 -44.79 57.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 72.03 110.901 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.71 -44.83 95.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 71.4 111.094 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.69 -49.05 76.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 75.44 110.986 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.6 mt -55.38 -49.64 71.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 74.53 111.139 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.18 -51.95 67.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 70.53 111.153 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -54.37 -26.74 31.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.937 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -76.39 -33.73 58.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 75.52 110.911 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.2 mt -67.35 -23.56 65.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 72.43 110.89 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -56.98 -24.37 52.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 73.03 110.909 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.96 -19.62 40.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.082 -0.508 . . . . 72.22 110.881 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.4 mt -50.13 104.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 72.51 111.138 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.68 145.72 33.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.559 0.695 . . . . 72.22 110.944 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -11.61 31.21 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.671 2.247 . . . . 74.12 112.382 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.9 -10.04 59.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.232 -0.44 . . . . 74.42 111.077 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -174.55 104.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 71.22 110.88 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.514 ' HA ' ' CZ ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -116.28 -167.82 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.13 110.856 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -170.57 90.98 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 73.4 110.883 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 31.6 t 64.17 112.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 63.1 111.125 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -120.48 126.91 51.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 64.43 110.871 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -168.85 175.47 5.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 70.02 110.858 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.3 t -87.03 140.77 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 63.33 111.083 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -126.53 139.86 52.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 74.21 110.933 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.44 139.61 41.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 74.42 110.826 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.07 117.65 21.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 73.13 110.86 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -104.38 131.8 51.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.875 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.8 mm -110.92 90.63 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 73.2 111.105 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.5 p -99.2 169.78 9.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 73.35 111.213 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -137.41 98.56 3.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 72.11 110.908 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.21 -46.96 2.19 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 70.31 112.492 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.87 -31.8 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.751 -0.738 . . . . 74.12 112.539 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.12 144.42 27.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.801 0.334 . . . . 63.31 110.909 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.6 t -75.3 145.22 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 74.42 111.035 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 m -123.26 -23.67 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 75.34 111.205 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.47 154.36 26.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 71.04 110.939 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -109.6 159.29 17.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 75.53 110.862 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.483 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -143.5 138.77 29.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.485 . . . . 75.24 110.896 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.3 t -120.21 142.98 33.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 64.32 111.152 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.7 tpp -100.84 96.65 7.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 72.43 110.894 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.46 84.58 3.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 72.4 110.812 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.1 mp -78.82 -8.33 58.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 74.54 110.892 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -83.71 -55.92 4.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 71.42 110.88 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -85.75 -3.86 59.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 70.51 110.877 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.7 t 69.44 49.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 74.43 111.136 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -147.84 171.53 15.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 74.13 110.879 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.4 mp -131.57 100.12 5.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 71.22 110.988 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -98.17 178.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 72.4 111.125 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 11.0 pm0 -109.71 113.52 26.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 73.52 110.879 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.5 167.14 13.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.889 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.9 117.65 23.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 73.11 110.895 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -150.74 164.1 36.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 64.52 110.856 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.64 92.46 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 72.52 111.038 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.24 157.8 16.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 73.22 111.169 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -63.97 -25.17 68.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 63.55 110.905 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.33 123.98 19.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 72.13 111.074 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 54.7 m -100.35 125.27 46.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 73.24 111.136 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.1 mp -124.49 105.89 9.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 72.11 110.951 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -100.35 129.59 46.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 75.21 111.163 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.35 148.73 21.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.951 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -83.94 166.12 18.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 74.44 110.87 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.08 -57.07 10.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 75.34 110.905 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -51.22 -36.44 41.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 74.02 110.812 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.2 mm -67.13 -35.38 74.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 73.31 111.118 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.27 -46.73 82.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 75.0 110.922 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -73.45 -30.38 63.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 72.11 110.883 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.47 -59.36 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 73.3 111.109 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 59.5 mt -73.4 -46.27 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 64.21 111.149 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -48.61 -35.93 17.29 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.725 -0.75 . . . . 64.3 112.484 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 66.6 p -88.26 -21.96 24.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 74.33 111.205 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.97 31.87 16.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 73.41 112.516 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.47 -39.97 21.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.339 . . . . 75.45 111.12 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.1 mt -119.19 154.78 53.79 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.577 0.703 . . . . 75.14 110.918 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 121.82 8.51 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.71 2.274 . . . . 72.45 112.355 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.87 -25.69 68.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 54.35 111.074 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -71.16 -51.32 25.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 72.42 110.908 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.58 -45.07 95.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 73.2 110.816 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.66 -51.05 52.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 75.44 111.059 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 10.6 mtm -76.67 -26.47 54.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 72.33 110.878 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.33 -31.75 70.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 75.11 111.132 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -90.68 27.87 1.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 74.04 110.924 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 48.46 28.72 1.79 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 75.42 110.836 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.42 2.05 51.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 64.21 110.918 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -154.35 149.42 26.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 74.15 110.801 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -123.91 108.13 12.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 74.14 110.947 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.6 m -125.42 144.04 36.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 74.54 111.168 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -132.96 113.2 12.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 71.54 110.82 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.14 168.23 29.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 73.23 112.494 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.51 114.8 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.861 0.362 . . . . 74.11 110.921 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 40.7 t -44.05 -43.51 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 74.34 111.106 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -55.89 -50.17 71.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 74.25 110.89 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 70.7 mt -48.1 -53.47 16.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 75.13 110.882 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 36.1 pt -72.45 -20.75 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 70.21 111.115 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -81.57 -18.8 43.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 75.32 110.864 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.0 mt -76.19 -32.59 59.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 65.23 110.978 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.2 mp -86.67 -7.74 58.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 74.32 110.928 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.648 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 16.5 mt-10 -63.61 -51.17 68.26 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.65 0.738 . . . . 72.44 110.92 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.648 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.8 Cg_endo -69.73 -8.63 24.1 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.725 2.283 . . . . 73.23 112.335 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -101.05 -15.68 17.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 74.43 110.91 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.427 HD12 ' HE1' ' A' ' 200' ' ' PLM . 2.9 mm -44.33 -53.25 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 75.54 111.112 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -70.91 -47.83 56.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 64.22 111.082 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.612 ' O ' ' C ' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -51.47 -44.31 62.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 72.33 110.831 -179.759 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.612 ' C ' ' O ' ' A' ' 108' ' ' SER . 21.1 mt -14.39 94.45 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.185 -0.461 . . . . 72.53 110.903 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 73.04 110.864 179.858 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' PLM . . . . . 0.427 ' HE1' HD12 ' A' ' 106' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.808 0.337 . . . . 64.21 110.931 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.3 123.0 35.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 72.42 110.904 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.9 mt -71.24 174.07 6.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 75.02 110.898 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -59.51 3.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 74.23 110.933 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 p -44.36 -31.8 1.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 70.22 110.891 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.97 -50.48 66.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.51 . . . . 71.01 110.9 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -52.01 -38.41 56.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 65.44 110.857 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.3 t -51.92 -60.24 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 74.3 111.088 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -47.59 -43.02 25.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 72.03 110.839 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.22 -39.13 85.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 71.4 111.099 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -67.68 -53.6 26.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 75.44 110.906 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.455 HG22 ' C8 ' ' A' ' 200' ' ' PLM . 69.2 mt -55.31 -38.96 49.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 74.53 111.188 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.02 -52.43 19.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 70.53 111.107 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -52.99 -30.42 35.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 74.23 110.871 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -33.07 69.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 75.52 110.849 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mt -65.29 -23.75 67.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 72.43 110.854 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -54.36 -21.81 10.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 73.03 110.872 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.11 -27.3 22.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 72.22 110.89 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.468 HD13 ' C4 ' ' A' ' 200' ' ' PLM . 54.1 mt -47.55 104.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 72.51 111.106 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.36 144.36 28.84 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.65 0.738 . . . . 72.22 110.837 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -10.34 28.29 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 74.12 112.347 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.71 -10.43 59.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 74.42 111.115 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.25 103.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 71.22 110.853 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.46 ' HA ' ' CZ ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -118.44 177.03 4.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 74.13 110.856 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -113.06 -42.65 3.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 73.4 110.959 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 p -173.95 142.01 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 63.1 111.075 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -117.02 124.03 48.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 64.43 110.908 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -171.38 179.4 2.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 70.02 110.861 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.5 t -93.08 139.2 18.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 63.33 111.147 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 30' ' ' TYR . 6.6 t80 -128.33 136.24 50.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.942 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -117.12 142.48 46.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 74.42 110.915 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.03 152.55 38.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 73.13 110.901 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -126.12 127.06 45.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 75.14 110.928 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 40.3 mm -115.91 90.71 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 73.2 111.088 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 p -99.31 170.93 8.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 73.35 111.148 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -138.62 98.16 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 72.11 110.959 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.98 -51.22 1.47 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.787 -0.72 . . . . 70.31 112.461 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.13 -31.82 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.789 -0.719 . . . . 74.12 112.456 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.56 142.08 34.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.342 . . . . 63.31 110.926 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 p -71.62 151.17 8.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 74.42 111.174 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.6 m -124.54 -17.64 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 75.34 111.128 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.22 143.94 1.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 71.04 110.907 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.02 156.53 17.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 75.53 110.893 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -128.78 160.12 33.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.259 -0.428 . . . . 75.24 110.888 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.4 t -132.97 143.11 40.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 64.32 111.173 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.34 104.32 13.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 72.43 110.855 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -81.04 84.59 6.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 72.4 110.922 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.7 mt -78.53 -15.76 58.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.3 -0.409 . . . . 74.54 110.848 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -76.57 -46.14 27.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 71.42 110.938 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.57 -4.24 51.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 70.51 110.861 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.7 t 67.73 48.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.43 111.105 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -148.45 164.45 34.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 74.13 110.838 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.6 mp -121.08 130.88 53.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 71.22 110.896 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 m -135.23 171.68 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 72.4 111.16 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -108.02 114.23 27.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 73.52 110.843 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.67 166.99 13.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 73.41 110.799 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.1 117.4 23.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.063 -0.517 . . . . 73.11 110.89 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.06 164.27 38.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 64.52 110.958 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.41 91.39 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 72.52 111.097 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.51 149.97 20.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 73.22 111.126 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -22.06 66.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 63.55 110.889 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.59 124.01 19.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 72.13 111.12 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.6 m -110.66 123.36 49.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 73.24 111.165 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.87 122.1 42.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 72.11 110.923 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.5 m -106.19 126.14 51.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.251 -0.431 . . . . 75.21 111.129 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.401 ' HG3' ' HG2' ' A' ' 90' ' ' MET . 0.1 OUTLIER -155.42 144.74 20.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 74.32 110.838 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -78.88 160.44 27.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 74.44 110.924 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.5 -58.93 3.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.161 -0.472 . . . . 75.34 110.879 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.77 -34.37 27.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 74.02 110.891 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 12.0 mm -71.67 -42.4 71.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 73.31 111.125 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.3 tpt -52.78 -46.43 67.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 75.0 110.857 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -69.09 -30.43 68.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 72.11 110.866 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.09 -59.53 2.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 73.3 111.108 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 41.3 mt -67.38 -47.32 81.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 64.21 111.153 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.74 -37.62 34.97 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.746 -0.74 . . . . 64.3 112.522 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 65.7 p -90.51 -10.73 42.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 74.33 111.087 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.43 33.78 52.07 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.777 -0.725 . . . . 73.41 112.45 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.56 -39.62 17.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 75.45 111.082 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.0 mt -118.22 150.8 48.3 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 121.657 0.741 . . . . 75.14 110.899 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 122.6 9.3 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.616 2.21 . . . . 72.45 112.391 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.04 -27.02 68.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 54.35 111.114 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -53.73 13.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 72.42 110.909 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.6 -44.15 96.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 73.2 110.877 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.97 -51.0 56.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 75.44 111.068 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.1 mtm -76.85 -26.46 54.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 72.33 110.862 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.32 -31.18 70.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 75.11 111.053 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -89.19 28.41 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 74.04 110.928 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 46.66 28.55 0.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 75.42 110.906 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.63 4.42 51.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 64.21 110.926 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.401 ' HG2' ' HG3' ' A' ' 66' ' ' MET . 0.1 OUTLIER -160.63 147.98 15.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 74.15 110.901 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -121.44 108.37 13.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.797 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 90.1 t -111.78 143.05 22.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 74.54 111.17 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -131.63 113.27 13.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 71.54 110.841 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.77 167.37 27.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.779 -0.724 . . . . 73.23 112.542 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -56.33 120.98 8.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 74.11 110.902 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 87.9 t -43.12 -53.45 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 74.34 111.121 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.87 -49.18 76.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 74.25 110.871 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.1 mt -48.37 -54.04 15.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 75.13 110.916 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 30.8 pt -71.87 -23.8 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 70.21 111.113 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -75.26 -12.84 60.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.463 . . . . 75.32 110.877 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 44.2 mt -75.7 -32.43 60.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 65.23 110.925 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.1 mp -88.15 -7.73 56.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 74.32 110.885 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.673 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 18.1 mt-10 -64.65 -48.97 72.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.722 0.773 . . . . 72.44 110.913 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.673 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.6 Cg_endo -69.82 -8.0 22.51 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.662 2.241 . . . . 73.23 112.305 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -101.29 -17.07 16.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 74.43 110.918 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.412 ' CD1' ' HE1' ' A' ' 200' ' ' PLM . 30.7 mt -55.14 -53.14 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 75.54 111.081 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -94.01 24.35 4.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 64.22 111.044 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.8 t -104.03 -50.47 3.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 72.33 110.892 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.8 93.41 7.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 72.53 110.843 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.5 tttm . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 73.04 110.884 179.83 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' PLM . . . . . 0.468 ' C4 ' HD13 ' A' ' 19' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.9 mmpt? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.746 0.308 . . . . 74.230000000000004 110.875 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 m -46.07 -29.38 1.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 54.530000000000001 110.847 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.21 -49.95 68.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 71.010000000000005 110.857 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.53 -36.99 56.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 65.439999999999998 110.861 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.1 t -54.58 -59.78 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 74.299999999999997 111.131 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -50.21 -45.18 53.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 72.030000000000001 110.923 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.87 98.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 71.400000000000006 111.088 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -52.13 65.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.426 . . . . 75.319999999999993 110.868 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.3 mt -54.46 -51.97 44.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 74.530000000000001 111.134 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.469 ' HA ' HD12 ' A' ' 16' ' ' LEU . . . -57.09 -51.72 68.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 65.530000000000001 111.092 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.23 -33.47 65.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 74.230000000000004 110.863 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.407 ' HG3' ' HB2' ' A' ' 108' ' ' SER . 0.0 OUTLIER -69.26 -35.21 75.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 74.549999999999997 110.904 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.606 ' HB3' HG13 ' A' ' 51' ' ' VAL . 66.3 mt -60.99 -32.81 72.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 71.150000000000006 110.885 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -66.21 -15.93 63.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 73.030000000000001 110.887 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.66 -50.19 18.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 62.030000000000001 110.895 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.475 HD12 ' HA ' ' A' ' 16' ' ' LEU . 2.7 mp -47.76 104.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.493 . . . . 72.510000000000005 111.152 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.99 144.93 99.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.623 0.725 . . . . 72.219999999999999 110.894 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -15.25 36.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.256 . . . . 73.519999999999996 112.356 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.02 -2.28 39.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 74.400000000000006 111.11 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -168.54 104.62 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 71.219999999999999 110.882 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.7 mmm-85 -109.31 169.19 8.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 73.040000000000006 110.879 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -115.48 -78.54 0.58 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 73.400000000000006 110.923 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.436 ' HB ' HD13 ' A' ' 101' ' ' LEU . 92.2 t -151.08 113.66 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 62.439999999999998 111.157 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.41 135.56 54.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 64.430000000000007 110.892 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -162.67 178.98 8.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 70.019999999999996 110.868 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.3 t -86.86 122.05 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 54.229999999999997 111.135 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -117.89 162.31 18.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 71.040000000000006 110.909 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.535 ' HE2' HG23 ' A' ' 63' ' ' THR . 9.5 ttpt -124.5 136.08 53.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 74.420000000000002 110.894 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -126.65 121.09 31.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 73.129999999999995 110.829 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.634 ' CB ' HG23 ' A' ' 65' ' ' THR . 0.0 OUTLIER -109.79 130.95 55.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 75.140000000000001 110.866 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.714 ' O ' HG12 ' A' ' 41' ' ' VAL . 24.6 mm -107.59 90.99 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 73.200000000000003 111.114 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.659 HG22 ' HA ' ' A' ' 40' ' ' VAL . 15.5 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 73.349999999999994 111.147 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.659 ' HA ' HG22 ' A' ' 35' ' ' THR . 44.0 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.876 0.37 . . . . 63.310000000000002 111.135 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.714 HG12 ' O ' ' A' ' 34' ' ' ILE . 1.2 p -125.07 -18.27 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 44.340000000000003 111.144 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -174.64 165.39 3.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 64.319999999999993 110.882 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -112.66 154.1 26.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 72.109999999999999 110.844 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.473 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -139.89 142.29 36.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 73.329999999999998 110.955 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 56' ' ' SER . 26.9 t -123.85 141.88 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 60.539999999999999 111.144 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.488 ' SD ' HD21 ' A' ' 53' ' ' LEU . 1.1 tpp -100.63 100.52 11.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 72.040000000000006 110.891 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.27 80.21 5.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 72.400000000000006 110.822 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.44 HD13 HD22 ' A' ' 16' ' ' LEU . 1.0 OUTLIER -73.88 -12.87 60.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 74.540000000000006 110.908 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -82.13 -52.32 7.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 64.209999999999994 110.861 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -86.86 -6.36 58.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 41.399999999999999 110.826 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.606 HG13 ' HB3' ' A' ' 16' ' ' LEU . 5.1 t 69.74 48.53 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 71.439999999999998 111.184 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.66 170.11 18.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 73.310000000000002 110.941 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.488 HD21 ' SD ' ' A' ' 46' ' ' MET . 2.2 mp -129.52 100.43 5.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 71.219999999999999 110.885 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 m -99.77 175.07 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 72.400000000000006 111.146 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.473 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.8 pm0 -106.78 111.04 23.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 73.519999999999996 110.915 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.706 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -167.15 166.59 14.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 73.409999999999997 110.861 -179.842 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.81 118.28 23.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 71.219999999999999 110.906 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.5 162.69 39.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 62.329999999999998 110.846 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.28 91.31 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 64.140000000000001 111.072 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -93.7 156.18 16.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 60.25 111.14 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.82 -22.28 66.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 63.549999999999997 110.894 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.97 124.14 17.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 60.229999999999997 111.115 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.535 HG23 ' HE2' ' A' ' 31' ' ' LYS . 97.9 m -104.03 128.23 51.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 73.239999999999995 111.156 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.84 114.44 19.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 42.200000000000003 110.918 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.634 HG23 ' CB ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -110.16 129.26 55.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 74.439999999999998 111.152 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.444 ' HG3' ' HG2' ' A' ' 90' ' ' MET . 0.3 OUTLIER -155.66 144.94 20.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 74.319999999999993 110.844 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -78.52 158.83 28.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 74.439999999999998 110.932 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.84 -52.47 32.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 75.340000000000003 110.895 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.08 -35.15 24.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 74.019999999999996 110.852 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.429 ' CG2' HD12 ' A' ' 74' ' ' ILE . 14.9 mm -83.6 -24.8 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 73.310000000000002 111.098 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.538 ' HG3' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -57.52 -52.38 65.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 75.0 110.882 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.491 ' C ' ' CD1' ' A' ' 72' ' ' PHE . 3.6 p90 -73.9 -29.12 61.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 63.32 110.91 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.58 -59.97 2.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 72.109999999999999 111.104 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.429 HD12 ' CG2' ' A' ' 70' ' ' ILE . 71.3 mt -70.77 -43.13 77.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 62.020000000000003 111.109 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.63 -38.25 52.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 54.009999999999998 112.5 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 34.4 p -93.94 1.76 56.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 74.329999999999998 111.11 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.48 28.96 73.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 72.340000000000003 112.527 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.56 -39.69 70.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.319 . . . . 51.420000000000002 111.049 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 31.2 mt -119.74 153.78 54.67 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.575 0.703 . . . . 75.140000000000001 110.957 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 122.66 9.34 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.666 2.244 . . . . 72.450000000000003 112.352 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.456 ' HB1' ' HE1' ' A' ' 85' ' ' MET . . . -60.59 -28.48 68.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 35.219999999999999 111.096 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.19 -57.05 4.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 64.019999999999996 110.901 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.26 -43.71 98.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 73.200000000000003 110.849 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.491 ' HB1' ' SD ' ' A' ' 90' ' ' MET . . . -51.04 -51.55 52.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 63.32 111.079 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.456 ' HE1' ' HB1' ' A' ' 81' ' ' ALA . 8.0 mtm -77.11 -26.86 53.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 72.329999999999998 110.882 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.93 -31.88 67.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 44.200000000000003 111.127 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -90.11 27.62 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 63.450000000000003 110.866 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 46.35 30.17 0.99 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 74.430000000000007 110.829 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -94.44 7.07 46.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 64.209999999999994 110.927 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.491 ' SD ' ' HB1' ' A' ' 84' ' ' ALA . 2.3 mtm -150.95 144.19 24.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 63.100000000000001 110.88 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -119.22 108.91 15.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 65.450000000000003 110.932 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.7 p -128.19 140.34 49.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 74.540000000000006 111.105 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -131.75 113.78 13.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 71.329999999999998 110.84 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.38 168.04 28.96 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.718 -0.753 . . . . 62.439999999999998 112.493 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.449 ' HB3' HD12 ' A' ' 98' ' ' LEU . 52.5 tp60 -54.29 118.59 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 74.109999999999999 110.919 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.4 t -43.19 -50.2 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 73.329999999999998 111.128 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -50.33 71.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 74.25 110.887 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.775 ' HA ' HD12 ' A' ' 101' ' ' LEU . 7.7 mt -48.48 -54.11 15.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 75.129999999999995 110.903 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 43.6 pt -68.96 -24.23 28.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 70.209999999999994 111.16 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.17 -15.37 60.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 72.329999999999998 110.899 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.775 HD12 ' HA ' ' A' ' 98' ' ' LEU . 4.6 mt -76.01 -32.61 59.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 65.230000000000004 110.966 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.3 mp -84.65 -12.26 54.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 74.319999999999993 110.978 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.621 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 18.4 mt-10 -59.74 -53.48 65.18 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.64 0.733 . . . . 63.229999999999997 110.898 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.621 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.7 Cg_endo -69.71 -9.16 25.44 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 73.129999999999995 112.39 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -95.77 -17.26 21.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.430000000000007 110.897 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 103' ' ' GLU . 23.4 mt -56.51 -44.58 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 75.540000000000006 111.113 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.71 -37.48 71.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 64.219999999999999 111.114 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.407 ' HB2' ' HG3' ' A' ' 15' ' ' ARG . 24.2 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 64.310000000000002 110.899 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.79 0.328 . . . . 74.230000000000004 110.85 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.403 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 79.4 p -44.7 -30.96 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 54.530000000000001 110.817 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -53.97 -50.44 66.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 71.010000000000005 110.928 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.76 -37.01 39.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 65.439999999999998 110.885 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.812 HG11 ' HG3' ' A' ' 71' ' ' MET . 92.8 t -56.43 -57.94 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 74.299999999999997 111.12 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -48.9 -45.54 41.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 72.030000000000001 110.898 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.58 -47.73 84.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 71.400000000000006 111.086 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -53.01 63.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 75.319999999999993 110.902 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.9 mt -54.76 -54.04 26.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 74.530000000000001 111.125 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.69 -52.92 62.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 65.530000000000001 111.152 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -53.69 -29.49 39.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 74.230000000000004 110.884 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -33.49 64.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 74.549999999999997 110.823 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.718 ' HB3' HD12 ' A' ' 19' ' ' ILE . 7.4 mt -66.99 -20.74 65.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 71.150000000000006 110.86 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -56.24 -21.78 25.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 73.030000000000001 110.88 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.18 -22.63 26.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 62.030000000000001 110.905 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.746 HG23 ' CZ ' ' A' ' 24' ' ' ARG . 96.5 mt -49.84 104.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.057 -0.519 . . . . 72.510000000000005 111.104 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.69 143.44 28.2 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 121.623 0.725 . . . . 72.219999999999999 110.887 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -16.15 37.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.72 2.28 . . . . 73.519999999999996 112.26 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.54 -6.66 49.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 74.400000000000006 111.08 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -171.34 103.8 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 71.219999999999999 110.888 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.746 ' CZ ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -125.13 173.44 8.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 73.040000000000006 110.902 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.456 ' HB3' HD11 ' A' ' 101' ' ' LEU . 55.8 mm-40 -124.37 -55.75 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 73.400000000000006 110.909 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.798 HG11 HD23 ' A' ' 98' ' ' LEU . 98.7 t -151.82 109.62 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 62.439999999999998 111.108 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.74 125.12 51.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 64.430000000000007 110.898 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.56 179.16 3.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 70.019999999999996 110.844 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.4 t -91.82 133.1 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 54.229999999999997 111.134 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -119.97 167.22 12.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 71.040000000000006 110.954 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.643 ' CE ' HG22 ' A' ' 45' ' ' VAL . 1.3 tpmt? -134.06 136.57 44.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 74.420000000000002 110.898 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.482 ' O ' ' HB2' ' A' ' 44' ' ' TRP . 0.4 OUTLIER -130.19 111.36 12.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 73.129999999999995 110.887 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.742 ' HB2' HG23 ' A' ' 65' ' ' THR . 3.1 mtt-85 -100.02 134.7 42.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 75.140000000000001 110.82 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.628 ' O ' HG22 ' A' ' 41' ' ' VAL . 23.3 mm -104.58 90.44 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 73.200000000000003 111.103 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.822 HG22 HG22 ' A' ' 40' ' ' VAL . 80.4 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 73.349999999999994 111.115 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.822 HG22 HG22 ' A' ' 35' ' ' THR . 47.8 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.913 0.387 . . . . 63.310000000000002 111.127 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.628 HG22 ' O ' ' A' ' 34' ' ' ILE . 29.3 m -125.05 -18.33 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 44.340000000000003 111.182 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.96 156.93 15.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 64.319999999999993 110.878 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.02 152.64 34.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 72.109999999999999 110.894 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.482 ' HB2' ' O ' ' A' ' 32' ' ' PHE . 0.4 OUTLIER -135.6 147.09 48.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 73.329999999999998 110.925 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 56' ' ' SER . 29.1 t -121.81 142.87 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 60.539999999999999 111.14 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.418 ' HG3' HD11 ' A' ' 53' ' ' LEU . 5.3 ttm -100.77 97.33 7.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 72.040000000000006 110.888 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.57 80.45 4.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 72.400000000000006 110.871 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 48' ' ' LEU . 10.8 mt -74.29 -10.12 59.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 74.540000000000006 110.921 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -82.03 -52.6 6.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 64.209999999999994 110.929 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.406 ' C ' HG23 ' A' ' 51' ' ' VAL . 6.1 t30 -87.43 -5.44 58.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 41.399999999999999 110.904 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.406 HG23 ' C ' ' A' ' 50' ' ' ASN . 3.5 t 70.51 47.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 71.439999999999998 111.1 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.3 168.47 22.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 73.310000000000002 110.964 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.418 HD11 ' HG3' ' A' ' 46' ' ' MET . 0.8 OUTLIER -128.0 100.56 5.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 71.219999999999999 110.97 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 m -97.96 176.05 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 72.400000000000006 111.096 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.479 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 4.1 pm0 -107.79 111.24 23.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 73.519999999999996 110.972 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.687 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -167.64 167.75 13.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 73.409999999999997 110.876 -179.769 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -128.01 118.41 23.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 71.219999999999999 110.828 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.89 163.19 38.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 62.329999999999998 110.849 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.68 91.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 64.140000000000001 111.088 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.538 ' HB2' ' NZ ' ' A' ' 31' ' ' LYS . . . -94.42 149.23 21.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 60.25 111.067 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -22.51 66.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 63.549999999999997 110.912 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.67 124.26 18.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 60.229999999999997 111.099 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.7 m -104.8 127.4 52.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 73.239999999999995 111.108 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.38 106.95 10.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 42.200000000000003 110.919 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.742 HG23 ' HB2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -98.93 128.8 45.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 74.439999999999998 111.156 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -155.04 144.22 21.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 74.319999999999993 110.875 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -78.81 162.48 26.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 74.439999999999998 110.936 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.75 -59.03 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 75.340000000000003 110.851 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -51.29 -42.97 61.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 74.019999999999996 110.8 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.417 HD13 ' HA ' ' A' ' 70' ' ' ILE . 15.2 mm -60.27 -37.23 73.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 73.310000000000002 111.181 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.812 ' HG3' HG11 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -60.81 -45.64 93.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.0 110.941 179.794 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -69.41 -30.37 68.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 63.32 110.916 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.603 ' HB1' ' HG ' ' A' ' 79' ' ' LEU . . . -75.38 -59.43 2.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 72.109999999999999 111.118 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.43 ' O ' HG23 ' A' ' 106' ' ' ILE . 55.7 mt -69.11 -44.32 81.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 62.020000000000003 111.109 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.17 -39.81 51.02 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.755 -0.736 . . . . 54.009999999999998 112.465 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 41.4 p -92.65 7.13 44.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.343 . . . . 74.329999999999998 111.124 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 58.02 30.91 64.22 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.755 -0.736 . . . . 72.340000000000003 112.473 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.82 -38.81 70.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 51.420000000000002 111.083 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.603 ' HG ' ' HB1' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -125.74 157.17 69.66 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.621 0.724 . . . . 75.140000000000001 110.947 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 123.51 10.16 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.667 2.245 . . . . 72.450000000000003 112.331 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.03 -26.85 67.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 35.219999999999999 111.109 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.21 -56.68 5.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 64.019999999999996 110.884 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -43.39 97.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 73.200000000000003 110.898 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.633 ' HB1' ' HE1' ' A' ' 90' ' ' MET . . . -51.03 -52.96 37.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 63.32 111.162 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.9 mtm -75.26 -26.44 58.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 72.329999999999998 110.852 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.93 -34.69 70.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 44.200000000000003 111.068 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -87.29 27.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 63.450000000000003 110.928 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 46.65 28.92 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 74.430000000000007 110.897 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.31 2.83 56.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 64.209999999999994 110.846 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.633 ' HE1' ' HB1' ' A' ' 84' ' ' ALA . 3.1 mtm -150.43 146.22 26.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 63.100000000000001 110.872 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -118.47 108.77 15.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 65.450000000000003 110.918 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.1 p -124.59 137.61 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 74.540000000000006 111.081 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -131.22 113.47 13.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 71.329999999999998 110.872 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.37 168.11 29.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 62.439999999999998 112.495 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.689 ' HB2' HD12 ' A' ' 98' ' ' LEU . 11.8 tp60 -54.36 120.2 6.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.804 0.335 . . . . 74.109999999999999 110.913 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.4 t -43.0 -50.72 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 73.329999999999998 111.164 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.86 -50.09 73.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 74.25 110.834 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.798 HD23 HG11 ' A' ' 26' ' ' VAL . 34.8 mt -48.03 -53.91 14.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 75.129999999999995 110.855 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 34.5 pt -71.45 -24.17 23.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 70.209999999999994 111.124 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -75.77 -14.27 60.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 72.329999999999998 110.812 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.456 HD11 ' HB3' ' A' ' 25' ' ' GLN . 1.0 OUTLIER -75.33 -35.52 61.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 65.230000000000004 110.903 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.7 mp -85.14 -7.45 59.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 74.319999999999993 110.901 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.629 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 19.7 mt-10 -63.33 -53.36 53.75 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.625 0.726 . . . . 63.229999999999997 110.893 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.629 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 54.3 Cg_endo -69.67 -7.78 21.92 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.757 2.305 . . . . 73.129999999999995 112.37 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -97.99 -17.09 19.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 74.430000000000007 110.896 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 103' ' ' GLU . 23.3 mt -51.61 -39.42 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 75.540000000000006 111.132 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.7 -36.18 83.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 64.219999999999999 111.073 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 32.0 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 64.310000000000002 110.857 -179.819 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.781 0.324 . . . . 74.230000000000004 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.5 m -45.88 -29.88 1.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 54.530000000000001 110.886 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -54.14 -49.86 68.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 71.010000000000005 110.916 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.99 -36.6 50.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 65.439999999999998 110.884 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.601 HG11 ' HG3' ' A' ' 71' ' ' MET . 57.3 t -56.43 -59.44 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 74.299999999999997 111.125 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -50.67 -46.39 58.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 72.030000000000001 110.85 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.63 -43.33 99.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 71.400000000000006 111.139 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.9 mmtm -58.59 -50.64 73.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 75.319999999999993 110.894 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.3 mt -54.61 -51.09 54.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 74.530000000000001 111.127 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.665 ' HA ' HD12 ' A' ' 16' ' ' LEU . . . -57.16 -51.86 67.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 65.530000000000001 111.074 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -55.11 -32.17 61.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 74.230000000000004 110.917 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -34.62 72.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 74.549999999999997 110.96 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 13' ' ' ALA . 26.6 mt -61.87 -33.46 74.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 71.150000000000006 110.87 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -69.25 -13.7 62.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 73.030000000000001 110.926 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.36 -51.12 16.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 62.030000000000001 110.814 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 16' ' ' LEU . 2.7 mt -47.82 104.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 72.510000000000005 111.121 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.74 144.79 89.16 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.591 0.71 . . . . 72.219999999999999 110.87 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -16.77 37.66 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.721 2.28 . . . . 73.519999999999996 112.326 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.41 -0.44 37.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 74.400000000000006 111.09 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -170.72 104.79 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 71.219999999999999 110.815 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.49 ' HD2' HG22 ' A' ' 19' ' ' ILE . 41.8 mmm-85 -107.28 174.36 5.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 73.040000000000006 110.789 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -110.92 -83.07 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 73.400000000000006 110.956 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.9 t -136.58 105.09 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 62.439999999999998 111.115 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.86 126.46 34.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 64.430000000000007 110.88 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.588 ' O ' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -169.56 170.87 7.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 70.019999999999996 110.893 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.3 t -98.35 130.13 47.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 54.229999999999997 111.145 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.593 ' HD1' ' HB3' ' A' ' 62' ' ' ALA . 22.0 m-85 -117.27 161.13 19.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 71.040000000000006 110.933 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.513 ' CE ' HG22 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -125.89 138.73 53.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 74.420000000000002 110.885 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' A' ' 44' ' ' TRP . 0.1 OUTLIER -131.03 123.01 27.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 73.129999999999995 110.855 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -117.5 134.46 54.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 75.140000000000001 110.849 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.44 ' O ' HG12 ' A' ' 41' ' ' VAL . 20.2 mm -112.85 127.74 69.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 73.200000000000003 111.169 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 73.349999999999994 111.156 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.918 0.39 . . . . 63.310000000000002 111.071 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 34' ' ' ILE . 1.1 p -127.19 -29.34 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 44.340000000000003 111.149 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.79 165.69 3.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 64.319999999999993 110.885 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.48 152.83 29.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 72.109999999999999 110.904 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.451 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -135.36 145.04 46.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 73.329999999999998 110.897 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 56' ' ' SER . 26.6 t -125.0 141.57 44.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 60.539999999999999 111.153 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.459 ' SD ' HD21 ' A' ' 53' ' ' LEU . 2.3 tpp -100.76 97.36 8.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 72.040000000000006 110.899 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -76.14 80.56 2.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 72.400000000000006 110.9 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.588 HD13 ' O ' ' A' ' 28' ' ' HIS . 1.2 mp -72.89 -11.94 60.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 74.540000000000006 110.935 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -83.07 -53.02 6.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 64.209999999999994 110.893 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -85.81 -7.28 58.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 41.399999999999999 110.924 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.498 HG13 ' HB3' ' A' ' 16' ' ' LEU . 5.3 t 69.95 48.78 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 71.439999999999998 111.125 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.43 167.11 26.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 73.310000000000002 110.871 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.459 HD21 ' SD ' ' A' ' 46' ' ' MET . 3.3 mp -125.38 100.3 6.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 71.219999999999999 110.965 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 m -99.92 176.52 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.116 -0.493 . . . . 72.400000000000006 111.177 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.451 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.2 pm0 -108.03 110.92 22.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 73.519999999999996 110.93 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.734 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -168.89 170.13 9.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 73.409999999999997 110.83 -179.795 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -128.54 116.37 19.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 71.219999999999999 110.926 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -156.04 169.56 24.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.499 . . . . 62.329999999999998 110.888 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.9 157.83 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 64.140000000000001 111.082 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -168.27 141.45 3.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 60.25 111.12 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.58 -24.93 68.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 63.549999999999997 110.89 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.593 ' HB3' ' HD1' ' A' ' 30' ' ' TYR . . . -139.56 124.21 18.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 60.229999999999997 111.083 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 77.6 m -108.54 129.4 55.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 73.239999999999995 111.109 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.629 HD21 HG22 ' A' ' 99' ' ' ILE . 0.8 OUTLIER -127.41 114.41 17.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 42.200000000000003 110.899 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -104.39 132.2 50.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 74.439999999999998 111.138 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.7 mtt -155.68 144.4 20.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 74.319999999999993 110.869 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -78.95 161.33 26.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 74.439999999999998 110.895 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.05 -59.09 3.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 75.340000000000003 110.853 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -51.35 -36.48 43.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.019999999999996 110.846 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.4 mm -70.69 -32.6 49.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 73.310000000000002 111.102 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.601 ' HG3' HG11 ' A' ' 8' ' ' VAL . 1.7 tpt -62.49 -47.2 85.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 75.0 110.874 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -67.24 -32.03 72.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 63.32 110.876 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.65 -60.15 2.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 72.109999999999999 111.152 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.9 mm -63.22 -43.63 98.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 62.020000000000003 111.129 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.06 -36.06 42.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 54.009999999999998 112.517 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.7 p -97.29 0.43 48.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.343 . . . . 74.329999999999998 111.129 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 68.41 33.22 76.79 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.786 -0.721 . . . . 72.340000000000003 112.454 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.72 -43.83 16.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 51.420000000000002 111.137 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 28.4 mt -106.54 144.76 29.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.714 . . . . 75.140000000000001 110.917 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 120.25 7.07 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.668 2.246 . . . . 72.450000000000003 112.326 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.474 ' O ' ' HE3' ' A' ' 85' ' ' MET . . . -59.53 -33.67 71.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 35.219999999999999 111.115 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.11 -57.01 4.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 64.019999999999996 110.895 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -44.87 93.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 73.200000000000003 110.852 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.07 -52.75 40.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 63.32 111.128 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.474 ' HE3' ' O ' ' A' ' 81' ' ' ALA . 4.4 mtt -74.16 -26.84 60.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 72.329999999999998 110.783 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.9 -32.06 71.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 44.200000000000003 111.072 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.22 27.51 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 63.450000000000003 110.951 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 46.46 29.55 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 74.430000000000007 110.903 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -94.26 2.01 55.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 64.209999999999994 110.917 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.9 mtm -154.32 148.71 26.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 63.100000000000001 110.876 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -120.49 108.55 14.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 65.450000000000003 110.856 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.4 p -123.25 140.03 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 74.540000000000006 111.125 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -132.71 113.64 13.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.473 . . . . 71.329999999999998 110.835 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.8 167.36 27.36 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 62.439999999999998 112.447 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.17 119.36 6.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.832 0.349 . . . . 74.109999999999999 110.904 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.3 t -42.67 -45.74 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 73.329999999999998 111.149 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.08 -48.97 79.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 74.25 110.847 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.74 ' HA ' HD12 ' A' ' 101' ' ' LEU . 61.0 mt -48.6 -54.36 14.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 75.129999999999995 110.94 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.629 HG22 HD21 ' A' ' 64' ' ' LEU . 46.9 pt -69.67 -29.12 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 70.209999999999994 111.114 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -70.06 -16.29 63.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 72.329999999999998 110.839 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' A' ' 98' ' ' LEU . 10.4 mt -76.16 -33.32 59.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 65.230000000000004 110.943 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.7 mp -82.73 -12.97 57.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 74.319999999999993 110.956 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.623 ' HA ' HD12 ' A' ' 106' ' ' ILE . 25.6 mt-10 -58.57 -55.0 50.45 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.66 0.743 . . . . 63.229999999999997 110.876 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 54.2 Cg_endo -69.74 -10.09 27.72 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.719 2.279 . . . . 73.129999999999995 112.296 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -94.4 -17.75 22.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 74.430000000000007 110.902 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.623 HD12 ' HA ' ' A' ' 103' ' ' GLU . 19.8 mt -55.58 -48.01 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 75.540000000000006 111.108 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.73 -35.92 56.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 64.219999999999999 111.131 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 64.310000000000002 110.837 -179.727 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.9 pttt . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.745 0.307 . . . . 74.230000000000004 110.897 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.69 -32.3 1.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 54.530000000000001 110.823 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -54.45 -47.91 72.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.475 . . . . 71.010000000000005 110.853 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -55.16 -39.43 69.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 65.439999999999998 110.938 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.607 HG21 ' HA ' ' A' ' 72' ' ' PHE . 31.0 t -58.32 -57.1 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 74.299999999999997 111.134 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -48.75 -41.85 33.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 72.030000000000001 110.819 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.56 -47.98 83.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 71.400000000000006 111.121 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.07 -49.27 69.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 75.319999999999993 110.908 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.4 mt -54.91 -43.14 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.530000000000001 111.142 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.27 -53.57 28.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 65.530000000000001 111.167 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.9 tttt -54.82 -32.22 60.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 74.230000000000004 110.86 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.47 -35.03 75.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 74.549999999999997 110.822 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.668 ' HA ' HD12 ' A' ' 19' ' ' ILE . 66.9 mt -60.7 -33.47 72.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 71.150000000000006 110.846 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.518 ' HA ' HG11 ' A' ' 51' ' ' VAL . 70.3 mt-10 -63.47 -17.14 62.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 73.030000000000001 110.916 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.1 m -77.04 -42.26 39.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 62.030000000000001 110.837 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.668 HD12 ' HA ' ' A' ' 16' ' ' LEU . 8.0 mt -48.29 104.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 72.510000000000005 111.127 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.41 145.72 99.03 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.664 0.745 . . . . 72.219999999999999 110.87 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.76 -20.71 34.46 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.638 2.225 . . . . 73.519999999999996 112.295 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.64 5.36 39.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 74.400000000000006 111.097 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -165.14 104.79 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 71.219999999999999 110.903 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.0 mmm-85 -99.25 -168.27 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 73.040000000000006 110.857 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -155.21 82.72 1.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 73.400000000000006 110.868 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.43 HG11 HD23 ' A' ' 98' ' ' LEU . 40.6 t 60.55 95.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 62.439999999999998 111.16 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.28 126.26 32.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 64.430000000000007 110.91 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.701 ' CD2' HD22 ' A' ' 98' ' ' LEU . 11.0 p-80 -169.76 179.19 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 70.019999999999996 110.821 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.9 t -126.16 138.51 54.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 54.229999999999997 111.176 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.726 ' OH ' HD11 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -136.3 149.02 48.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 71.040000000000006 110.908 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -105.69 148.96 26.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 74.420000000000002 110.867 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.11 146.54 45.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.129999999999995 110.885 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.6 mtt180 -128.61 127.78 42.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 75.140000000000001 110.892 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.603 ' O ' HG12 ' A' ' 41' ' ' VAL . 47.4 mm -116.11 98.47 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 73.200000000000003 111.144 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 40' ' ' VAL . 1.4 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 73.349999999999994 111.193 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.436 ' HA ' ' HA ' ' A' ' 35' ' ' THR . 8.4 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.861 0.362 . . . . 63.310000000000002 111.112 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 34' ' ' ILE . 2.0 p -94.48 -27.92 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 44.340000000000003 111.165 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.34 153.36 1.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 64.319999999999993 110.907 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -95.52 158.18 15.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 72.109999999999999 110.883 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.41 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.7 OUTLIER -133.64 145.42 49.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 73.329999999999998 110.871 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 56' ' ' SER . 31.1 t -129.27 138.34 54.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 60.539999999999999 111.141 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.7 99.55 10.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 72.040000000000006 110.902 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.99 94.6 7.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 72.400000000000006 110.873 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.726 HD11 ' OH ' ' A' ' 30' ' ' TYR . 16.3 mt -83.91 -3.12 57.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 74.540000000000006 110.875 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -85.49 -55.19 4.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 64.209999999999994 110.885 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -88.22 -6.12 58.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 41.399999999999999 110.852 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.647 HG13 ' HB3' ' A' ' 16' ' ' LEU . 5.5 t 70.75 49.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 71.439999999999998 111.115 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -148.51 163.72 36.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 73.310000000000002 110.918 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.5 mp -120.75 100.95 7.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 71.219999999999999 110.949 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 m -97.37 175.75 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 72.400000000000006 111.141 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.4 pm0 -109.69 113.36 26.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 73.519999999999996 110.876 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.72 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -168.23 165.23 13.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 73.409999999999997 110.835 -179.784 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -122.09 116.5 24.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 71.219999999999999 110.872 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.23 166.3 33.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 62.329999999999998 110.893 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.74 159.67 0.36 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.448 . . . . 64.140000000000001 111.083 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.633 ' HB1' ' HA ' ' A' ' 30' ' ' TYR . . . -168.73 140.21 2.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 60.25 111.098 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -63.96 -14.99 58.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 63.549999999999997 110.862 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -147.08 124.18 11.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 60.229999999999997 111.114 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 41.8 m -100.09 128.95 46.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 73.239999999999995 111.138 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.67 139.16 52.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 42.200000000000003 110.944 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.711 HG22 ' O ' ' A' ' 91' ' ' GLU . 1.2 t -138.15 136.03 36.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.43 . . . . 74.439999999999998 111.137 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.513 ' HG3' ' HG2' ' A' ' 90' ' ' MET . 0.0 OUTLIER -157.07 142.67 17.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 74.319999999999993 110.879 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -76.1 159.76 30.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 74.439999999999998 110.865 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.98 -59.18 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 75.340000000000003 110.879 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -53.09 -37.83 62.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 74.019999999999996 110.813 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.8 mm -65.54 -46.09 90.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 73.310000000000002 111.14 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.55 ' HG3' HG11 ' A' ' 8' ' ' VAL . 62.6 tpp -51.11 -44.55 61.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 75.0 110.907 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.607 ' HA ' HG21 ' A' ' 8' ' ' VAL . 56.1 t80 -66.97 -30.92 71.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 63.32 110.907 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.73 -59.33 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.067 -0.515 . . . . 72.109999999999999 111.148 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 57.2 mt -66.28 -45.54 89.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 62.020000000000003 111.158 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.29 -39.67 51.7 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 54.009999999999998 112.559 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 46.0 p -93.03 8.67 38.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 74.329999999999998 111.125 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.53 24.0 51.1 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.796 -0.716 . . . . 72.340000000000003 112.493 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.4 -39.28 81.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 51.420000000000002 111.127 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.5 mt -121.15 152.75 57.45 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.627 0.727 . . . . 75.140000000000001 110.901 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 126.47 13.37 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.676 2.25 . . . . 72.450000000000003 112.351 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.456 ' HB1' ' HE1' ' A' ' 85' ' ' MET . . . -63.45 -28.37 69.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 35.219999999999999 111.083 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -71.15 -57.0 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 64.019999999999996 110.905 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.45 -43.9 93.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 73.200000000000003 110.834 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.93 -52.35 43.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 63.32 111.161 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.456 ' HE1' ' HB1' ' A' ' 81' ' ' ALA . 6.1 mtt -75.23 -26.65 59.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 72.329999999999998 110.9 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.75 -33.88 70.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 44.200000000000003 111.054 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -87.45 27.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 63.450000000000003 110.933 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 46.56 29.57 0.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 74.430000000000007 110.858 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.43 ' O ' ' HG3' ' A' ' 90' ' ' MET . 3.0 mttt -90.05 3.43 53.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 64.209999999999994 110.919 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.513 ' HG2' ' HG3' ' A' ' 66' ' ' MET . 3.5 mtm -154.58 147.09 24.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 63.100000000000001 110.858 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.711 ' O ' HG22 ' A' ' 65' ' ' THR . 5.4 mm-40 -116.59 108.43 15.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 65.450000000000003 110.87 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.7 p -124.85 137.67 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 74.540000000000006 111.163 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -132.44 112.64 12.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 71.329999999999998 110.888 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.47 167.66 27.47 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.712 -0.756 . . . . 62.439999999999998 112.509 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.64 118.09 3.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.846 0.355 . . . . 74.109999999999999 110.915 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 83.7 t -42.55 -44.17 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 73.329999999999998 111.116 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.86 -50.07 75.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 74.25 110.892 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.701 HD22 ' CD2' ' A' ' 28' ' ' HIS . 75.0 mt -48.1 -54.07 14.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 75.129999999999995 110.91 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.1 pt -71.51 -23.39 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 70.209999999999994 111.103 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -75.32 -14.15 60.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 72.329999999999998 110.819 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.63 -34.13 60.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 65.230000000000004 110.892 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.6 mp -85.77 -7.33 58.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 74.319999999999993 110.913 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.635 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 15.7 mt-10 -64.88 -52.42 50.1 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.655 0.74 . . . . 63.229999999999997 110.894 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.9 Cg_endo -69.69 -8.35 23.38 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.708 2.272 . . . . 73.129999999999995 112.381 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -97.41 -17.37 19.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 74.430000000000007 110.853 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.585 HD12 ' HA ' ' A' ' 103' ' ' GLU . 21.8 mt -53.64 -48.22 60.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 75.540000000000006 111.122 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.98 -37.65 71.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.481 . . . . 64.219999999999999 111.055 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 64.310000000000002 110.858 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.6 mmpt? . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.789 0.328 . . . . 74.230000000000004 110.886 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.48 -32.62 1.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 54.530000000000001 110.913 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -54.03 -49.84 68.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.495 . . . . 71.010000000000005 110.924 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -52.67 -38.14 59.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 65.439999999999998 110.933 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.685 HG11 ' HG3' ' A' ' 71' ' ' MET . 67.3 t -50.81 -61.47 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 74.299999999999997 111.141 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -49.94 -47.83 52.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 72.030000000000001 110.858 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.29 91.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 71.400000000000006 111.134 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -57.0 -52.57 64.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 75.319999999999993 110.904 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.3 mt -53.85 -58.2 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 74.530000000000001 111.131 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.27 -51.61 43.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 65.530000000000001 111.132 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -55.48 -32.43 62.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 74.230000000000004 110.919 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.95 -35.48 72.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 74.549999999999997 110.818 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.653 ' HB3' HD12 ' A' ' 19' ' ' ILE . 6.6 mt -66.37 -19.87 65.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 71.150000000000006 110.896 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -54.81 -23.82 19.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 73.030000000000001 110.832 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.36 -23.99 34.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 62.030000000000001 110.9 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.751 HG23 ' CZ ' ' A' ' 24' ' ' ARG . 84.1 mt -49.29 104.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 72.510000000000005 111.101 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.08 143.19 27.48 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.596 0.712 . . . . 72.219999999999999 110.856 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -13.89 35.14 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.683 2.255 . . . . 73.519999999999996 112.285 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.32 -8.44 56.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 74.400000000000006 111.095 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -171.69 103.79 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 71.219999999999999 110.897 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.751 ' CZ ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -122.74 173.91 7.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 73.040000000000006 110.857 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -123.32 -55.87 1.74 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 73.400000000000006 110.887 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.647 HG11 HD23 ' A' ' 98' ' ' LEU . 30.8 t -153.1 115.44 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 62.439999999999998 111.126 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -108.08 125.24 51.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.146 -0.479 . . . . 64.430000000000007 110.839 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -170.36 175.54 4.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.067 -0.515 . . . . 70.019999999999996 110.916 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.1 t -93.14 134.13 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 54.229999999999997 111.072 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -123.98 141.77 51.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 71.040000000000006 110.939 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -106.94 137.94 44.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 74.420000000000002 110.876 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -129.01 117.97 21.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 73.129999999999995 110.917 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.523 ' CB ' HG23 ' A' ' 65' ' ' THR . 0.0 OUTLIER -97.81 135.36 39.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 75.140000000000001 110.854 -179.889 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.4 HD12 ' HE3' ' A' ' 71' ' ' MET . 20.4 mm -112.29 90.73 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 73.200000000000003 111.071 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.763 HG22 HG22 ' A' ' 40' ' ' VAL . 11.0 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 73.349999999999994 111.187 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.763 HG22 HG22 ' A' ' 35' ' ' THR . 58.8 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.857 0.361 . . . . 63.310000000000002 111.189 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.2 m -120.28 -26.45 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 44.340000000000003 111.096 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.73 146.73 14.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 64.319999999999993 110.862 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.14 156.28 17.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 72.109999999999999 110.859 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.436 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -141.87 149.84 40.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 73.329999999999998 110.883 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.643 HG23 ' CG2' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -129.44 142.42 43.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 60.539999999999999 111.135 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.452 ' SD ' HD21 ' A' ' 53' ' ' LEU . 1.1 tpp -100.26 106.63 18.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 72.040000000000006 110.877 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.38 84.61 6.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 72.400000000000006 110.88 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.21 -13.55 60.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 74.540000000000006 110.988 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.25 -51.29 8.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 64.209999999999994 110.877 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -85.19 -6.43 59.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 41.399999999999999 110.887 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.454 HG12 ' HB2' ' A' ' 16' ' ' LEU . 3.1 t 67.64 43.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 71.439999999999998 111.126 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.23 168.16 24.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 73.310000000000002 110.868 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.452 HD21 ' SD ' ' A' ' 46' ' ' MET . 4.8 mp -118.78 136.58 53.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 71.219999999999999 110.934 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.643 ' CG2' HG23 ' A' ' 45' ' ' VAL . 3.1 m -136.86 165.85 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 72.400000000000006 111.158 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.436 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.2 pm0 -99.5 106.46 18.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 73.519999999999996 110.921 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.407 ' N ' HG22 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -167.72 163.6 14.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 73.409999999999997 110.873 -179.807 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.93 117.29 23.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 71.219999999999999 110.897 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.485 ' OD2' HG11 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -146.01 161.92 39.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 62.329999999999998 110.849 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.72 91.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 64.140000000000001 111.144 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.03 150.16 20.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 60.25 111.07 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -22.32 66.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 63.549999999999997 110.915 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.7 124.1 18.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 60.229999999999997 111.091 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.5 m -102.92 127.86 49.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 73.239999999999995 111.084 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.654 HD21 HG22 ' A' ' 99' ' ' ILE . 1.1 mp -124.21 108.64 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 42.200000000000003 110.936 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.523 HG23 ' CB ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -102.9 129.73 49.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 74.439999999999998 111.161 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.786 ' HG2' HG21 ' A' ' 70' ' ' ILE . 3.5 mtm -156.97 157.45 34.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 74.319999999999993 110.902 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -86.78 157.99 19.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 74.439999999999998 110.879 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.63 -56.37 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 75.340000000000003 110.862 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.79 -41.38 57.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 74.019999999999996 110.879 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.786 HG21 ' HG2' ' A' ' 66' ' ' MET . 15.1 mm -62.08 -41.78 92.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 73.310000000000002 111.135 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.685 ' HG3' HG11 ' A' ' 8' ' ' VAL . 3.1 tpp -51.74 -44.12 63.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.204 -0.453 . . . . 75.0 110.922 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.658 ' O ' HG22 ' A' ' 76' ' ' THR . 41.0 t80 -70.38 -30.47 67.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 63.32 110.903 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.06 -59.97 2.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.11 -0.495 . . . . 72.109999999999999 111.116 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.2 mt -72.02 -35.58 54.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 62.020000000000003 111.109 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -48.74 -41.64 27.46 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.655 -0.783 . . . . 54.009999999999998 112.555 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.658 HG22 ' O ' ' A' ' 72' ' ' PHE . 3.8 t -101.47 7.57 42.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.343 . . . . 74.329999999999998 111.154 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.79 34.05 88.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 72.340000000000003 112.521 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.57 -41.51 54.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.331 . . . . 51.420000000000002 111.063 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.3 mt -115.19 157.75 42.89 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.643 0.735 . . . . 75.140000000000001 110.855 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.69 106.78 1.71 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.691 2.261 . . . . 72.450000000000003 112.406 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.48 ' HB1' ' HE3' ' A' ' 85' ' ' MET . . . -56.05 -28.77 58.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 35.219999999999999 111.096 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -49.77 42.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 64.019999999999996 110.864 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.32 -44.39 95.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 73.200000000000003 110.893 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.62 -52.29 48.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 63.32 111.115 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.48 ' HE3' ' HB1' ' A' ' 81' ' ' ALA . 7.9 mtt -74.61 -26.62 60.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 72.329999999999998 110.827 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.87 -29.69 70.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 44.200000000000003 111.108 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -88.06 28.18 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 63.450000000000003 110.878 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 47.27 28.3 1.01 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.431 . . . . 74.430000000000007 110.816 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.91 1.66 56.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 64.209999999999994 110.83 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.9 mtm -152.25 147.73 26.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 63.100000000000001 110.853 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -121.43 108.48 13.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 65.450000000000003 110.903 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 63.6 t -121.05 139.62 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 74.540000000000006 111.159 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -132.86 113.4 12.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 71.329999999999998 110.881 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.93 167.93 28.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 62.439999999999998 112.454 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.494 ' CB ' HD12 ' A' ' 98' ' ' LEU . 13.2 tp60 -54.48 116.51 2.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 74.109999999999999 110.869 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 64.5 t -42.93 -46.98 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 73.329999999999998 111.094 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -57.8 -49.83 75.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 74.25 110.874 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.647 HD23 HG11 ' A' ' 26' ' ' VAL . 65.1 mt -48.46 -54.12 15.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 75.129999999999995 110.944 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.654 HG22 HD21 ' A' ' 64' ' ' LEU . 46.2 pt -71.06 -26.11 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 70.209999999999994 111.083 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -76.11 -15.84 60.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 72.329999999999998 110.847 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.562 HD13 ' HB ' ' A' ' 26' ' ' VAL . 13.9 mt -75.76 -33.54 60.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 65.230000000000004 110.915 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.3 mp -83.1 -11.32 58.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 74.319999999999993 110.926 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.717 ' HA ' HD12 ' A' ' 106' ' ' ILE . 17.5 mt-10 -60.84 -53.48 63.71 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.645 0.736 . . . . 63.229999999999997 110.854 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 54.7 Cg_endo -69.72 -10.16 27.9 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.664 2.242 . . . . 73.129999999999995 112.403 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -96.85 -16.2 20.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 74.430000000000007 110.894 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' A' ' 103' ' ' GLU . 19.8 mt -57.13 -41.58 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 75.540000000000006 111.11 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.34 -39.58 70.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 64.219999999999999 111.122 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 64.310000000000002 110.862 -179.786 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.792 0.33 . . . . 74.230000000000004 110.912 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.409 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 0.8 OUTLIER -43.81 -30.89 0.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 54.530000000000001 110.898 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -53.49 -48.8 68.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.08 -0.509 . . . . 71.010000000000005 110.86 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -50.29 -37.59 37.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 65.439999999999998 110.905 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.617 HG21 ' HA ' ' A' ' 72' ' ' PHE . 72.7 t -57.97 -60.28 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 74.299999999999997 111.1 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -48.73 -49.16 39.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 72.030000000000001 110.892 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.15 -41.1 97.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 71.400000000000006 111.092 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -61.81 -52.77 62.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 75.319999999999993 110.913 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.2 mt -54.26 -49.04 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 74.530000000000001 111.097 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.816 ' HA ' HD23 ' A' ' 16' ' ' LEU . . . -63.54 -54.14 40.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 65.530000000000001 111.048 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -55.54 -28.16 53.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 74.230000000000004 110.867 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -36.38 53.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 74.549999999999997 110.948 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.816 HD23 ' HA ' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -71.24 -19.78 62.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 71.150000000000006 110.927 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 13' ' ' ALA . 60.7 mt-10 -87.95 -10.22 51.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 73.030000000000001 110.876 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 m -74.05 -41.15 62.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 62.030000000000001 110.892 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.581 HG22 ' HD2' ' A' ' 24' ' ' ARG . 2.3 mp -47.88 104.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 72.510000000000005 111.112 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.56 144.34 72.7 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 121.64 0.733 . . . . 72.219999999999999 110.942 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -11.36 30.73 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.241 . . . . 73.519999999999996 112.406 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.91 -4.9 54.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 74.400000000000006 111.059 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -173.83 104.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 71.219999999999999 110.914 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.581 ' HD2' HG22 ' A' ' 19' ' ' ILE . 48.9 mmm-85 -102.94 -170.73 1.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 73.040000000000006 110.822 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.85 -78.78 0.6 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 73.400000000000006 110.92 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.8 t -137.66 122.26 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 62.439999999999998 111.159 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -110.56 126.71 54.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 64.430000000000007 110.913 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -167.77 175.58 6.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 70.019999999999996 110.828 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.0 t -96.24 124.58 49.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 54.229999999999997 111.12 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.595 ' HD1' ' HB3' ' A' ' 62' ' ' ALA . 35.6 m-85 -122.77 155.0 37.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 71.040000000000006 110.935 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -120.67 136.31 54.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 74.420000000000002 110.86 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.64 119.28 26.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 73.129999999999995 110.861 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.544 ' HB2' HG23 ' A' ' 65' ' ' THR . 0.3 OUTLIER -98.42 132.8 43.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 75.140000000000001 110.835 -179.831 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.534 ' O ' HG22 ' A' ' 41' ' ' VAL . 33.2 mm -114.73 114.06 45.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 73.200000000000003 111.224 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.595 HG22 HG22 ' A' ' 40' ' ' VAL . 57.9 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 73.349999999999994 111.041 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.595 HG22 HG22 ' A' ' 35' ' ' THR . 72.6 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.85 0.357 . . . . 63.310000000000002 111.111 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.534 HG22 ' O ' ' A' ' 34' ' ' ILE . 2.5 m -90.33 -33.74 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 44.340000000000003 111.105 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.76 147.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 64.319999999999993 110.922 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.0 162.13 17.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 72.109999999999999 110.803 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.552 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 1.0 OUTLIER -137.63 149.48 46.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 73.329999999999998 110.934 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 56' ' ' SER . 32.3 t -124.2 138.44 53.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 60.539999999999999 111.133 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.605 ' HG3' HD21 ' A' ' 53' ' ' LEU . 2.2 ttm -100.35 97.2 7.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 72.040000000000006 110.85 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -77.73 78.47 4.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 72.400000000000006 110.892 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.96 -14.18 60.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 74.540000000000006 110.95 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.82 -47.9 15.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 64.209999999999994 110.909 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.427 ' C ' HG23 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -90.89 -2.71 57.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 41.399999999999999 110.881 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.654 ' C ' HD11 ' A' ' 16' ' ' LEU . 2.8 t 69.2 47.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 71.439999999999998 111.094 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.75 168.0 24.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 73.310000000000002 110.915 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.745 HD12 ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -131.3 101.57 5.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 71.219999999999999 110.929 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 m -102.36 173.27 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 72.400000000000006 111.163 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.552 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -106.82 112.75 25.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 73.519999999999996 110.837 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.681 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -167.15 166.52 14.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 73.409999999999997 110.86 -179.764 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.88 117.61 24.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 71.219999999999999 110.879 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.4 162.47 40.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 62.329999999999998 110.882 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.99 92.98 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 64.140000000000001 111.075 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.51 151.28 19.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 60.25 111.124 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -64.35 -19.78 65.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 63.549999999999997 110.928 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.595 ' HB3' ' HD1' ' A' ' 30' ' ' TYR . . . -141.2 124.28 16.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 60.229999999999997 111.139 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 83.8 m -104.84 129.45 53.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 73.239999999999995 111.137 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.48 113.84 19.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 42.200000000000003 110.936 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.544 HG23 ' HB2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -108.55 128.31 54.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 74.439999999999998 111.171 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.594 ' HG2' HG21 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -159.78 152.95 21.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.319999999999993 110.868 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.445 ' O ' ' HB ' ' A' ' 70' ' ' ILE . 1.9 mm-40 -80.61 163.31 23.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 74.439999999999998 110.854 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.499 ' HA ' ' HE3' ' A' ' 71' ' ' MET . 0.4 OUTLIER -55.24 -55.15 34.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 75.340000000000003 110.8 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.19 -37.86 72.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 74.019999999999996 110.852 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.594 HG21 ' HG2' ' A' ' 66' ' ' MET . 14.4 mm -52.64 -46.58 49.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 73.310000000000002 111.168 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.499 ' HE3' ' HA ' ' A' ' 68' ' ' ASP . 4.1 ptp -52.02 -33.8 40.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 75.0 110.911 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.617 ' HA ' HG21 ' A' ' 8' ' ' VAL . 25.4 t80 -71.26 -30.59 66.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 63.32 110.874 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.27 -60.73 2.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 72.109999999999999 111.179 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.424 HD11 ' SD ' ' A' ' 90' ' ' MET . 77.5 mt -70.09 -45.35 76.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 62.020000000000003 111.166 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -51.11 -41.08 45.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.732 . . . . 54.009999999999998 112.503 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 32.8 p -88.69 -5.43 58.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 74.329999999999998 111.154 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.75 13.57 82.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.807 -0.711 . . . . 72.340000000000003 112.431 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.06 -41.67 79.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 51.420000000000002 111.046 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.26 148.63 58.49 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.555 0.693 . . . . 75.140000000000001 110.929 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 130.19 18.95 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.655 2.237 . . . . 72.450000000000003 112.445 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.433 ' HB1' ' CE ' ' A' ' 85' ' ' MET . . . -61.75 -27.89 69.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 35.219999999999999 111.061 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -56.96 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 64.019999999999996 110.871 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -44.27 84.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 73.200000000000003 110.882 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.79 -52.82 37.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 63.32 111.057 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.433 ' CE ' ' HB1' ' A' ' 81' ' ' ALA . 5.0 mtm -72.77 -26.74 61.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 72.329999999999998 110.928 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.43 -33.39 73.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 44.200000000000003 111.155 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -85.74 27.88 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 63.450000000000003 110.933 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 46.93 28.79 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 74.430000000000007 110.856 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -93.07 0.75 57.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 64.209999999999994 110.887 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.424 ' SD ' HD11 ' A' ' 74' ' ' ILE . 2.5 mtm -148.55 143.54 26.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 63.100000000000001 110.826 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -116.94 108.85 16.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 65.450000000000003 110.939 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.9 p -130.15 138.51 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 74.540000000000006 111.166 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -131.75 113.56 13.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 71.329999999999998 110.858 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.16 167.92 28.58 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.763 -0.732 . . . . 62.439999999999998 112.501 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.539 ' CB ' HD12 ' A' ' 98' ' ' LEU . 13.2 tp60 -54.46 119.31 5.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.832 0.348 . . . . 74.109999999999999 110.908 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.0 t -42.78 -48.5 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 73.329999999999998 111.12 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -58.02 -50.5 73.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 74.25 110.911 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.706 ' HA ' HD12 ' A' ' 101' ' ' LEU . 54.1 mt -48.29 -54.21 14.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.144 -0.48 . . . . 75.129999999999995 110.926 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 36.2 pt -71.24 -25.03 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 70.209999999999994 111.1 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -72.72 -12.09 60.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 72.329999999999998 110.882 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' A' ' 98' ' ' LEU . 6.1 mt -75.73 -35.07 60.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 65.230000000000004 110.852 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.468 HD21 ' SD ' ' A' ' 46' ' ' MET . 4.7 mp -85.07 -7.7 58.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 74.319999999999993 110.902 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.672 ' HA ' HD12 ' A' ' 106' ' ' ILE . 13.9 mt-10 -63.9 -53.5 48.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.622 0.725 . . . . 63.229999999999997 110.803 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.617 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.8 Cg_endo -69.7 -8.43 23.58 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.67 2.247 . . . . 73.129999999999995 112.405 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -96.56 -17.1 20.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 74.430000000000007 110.945 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.672 HD12 ' HA ' ' A' ' 103' ' ' GLU . 17.4 mt -57.57 -43.37 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.059 -0.519 . . . . 75.540000000000006 111.142 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.9 87.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 64.219999999999999 111.142 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 64.310000000000002 110.824 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.763 0.316 . . . . 74.230000000000004 110.876 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.469 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 6.5 p -44.31 -29.62 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 54.530000000000001 110.849 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -53.91 -44.13 70.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 71.010000000000005 110.905 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -52.85 -36.4 58.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 65.439999999999998 110.882 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.636 HG11 ' HG3' ' A' ' 71' ' ' MET . 25.3 t -55.3 -60.5 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 74.299999999999997 111.107 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -49.83 -45.08 49.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 72.030000000000001 110.885 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.33 92.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 71.400000000000006 111.058 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.32 -51.05 70.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 75.319999999999993 110.913 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.9 mt -58.77 -35.53 56.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 74.530000000000001 111.193 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.74 ' HA ' HD23 ' A' ' 16' ' ' LEU . . . -71.19 -55.14 8.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 65.530000000000001 111.089 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -55.08 -30.23 59.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.230000000000004 110.902 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.0 -34.29 50.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 74.549999999999997 110.908 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.74 HD23 ' HA ' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -78.84 -30.27 45.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 71.150000000000006 110.873 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 13' ' ' ALA . 40.7 mt-10 -64.52 -23.71 67.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 73.030000000000001 110.871 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.43 -21.72 59.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 62.030000000000001 110.843 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.5 mt -52.78 104.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 72.510000000000005 111.122 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.61 143.47 54.91 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.579 0.704 . . . . 72.219999999999999 110.844 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -15.03 36.64 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.715 2.277 . . . . 73.519999999999996 112.381 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.96 -5.4 43.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 74.400000000000006 111.112 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -170.05 104.47 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 71.219999999999999 110.904 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.2 mmm-85 -111.56 -170.06 1.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 73.040000000000006 110.839 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -131.11 -85.65 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 73.400000000000006 110.896 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.536 HG12 ' CD2' ' A' ' 28' ' ' HIS . 2.8 t -126.11 116.56 46.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 62.439999999999998 111.132 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -93.12 126.19 38.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 64.430000000000007 110.873 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.672 ' O ' HD13 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -169.87 179.82 3.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 70.019999999999996 110.865 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.4 t -132.69 123.23 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 54.229999999999997 111.079 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.797 ' HA ' ' HB1' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -125.26 160.94 28.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 71.040000000000006 110.905 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -106.07 144.37 32.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 74.420000000000002 110.925 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.87 120.38 31.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 73.129999999999995 110.903 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.754 ' HB3' HG23 ' A' ' 65' ' ' THR . 0.0 OUTLIER -99.35 130.57 45.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 75.140000000000001 110.871 -179.885 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.503 ' O ' HG22 ' A' ' 41' ' ' VAL . 43.2 mm -115.36 90.89 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 73.200000000000003 111.051 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 40' ' ' VAL . 3.3 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 73.349999999999994 111.122 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.448 ' HA ' ' HA ' ' A' ' 35' ' ' THR . 90.7 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.877 0.37 . . . . 63.310000000000002 111.106 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 34' ' ' ILE . 12.1 m -113.01 -27.67 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 44.340000000000003 111.07 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.6 138.46 1.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 64.319999999999993 110.911 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.37 163.31 17.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 72.109999999999999 110.942 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.41 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.6 OUTLIER -137.72 145.87 43.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 73.329999999999998 110.892 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 56' ' ' SER . 25.6 t -132.94 138.22 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 60.539999999999999 111.076 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.05 110.15 22.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 72.040000000000006 110.916 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -87.63 91.9 8.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 72.400000000000006 110.778 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.765 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 5.8 mp -79.29 -8.09 58.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 74.540000000000006 110.956 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -82.48 -54.06 5.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 64.209999999999994 110.866 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.463 ' C ' HG23 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -85.93 -4.22 59.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 41.399999999999999 110.876 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.664 HG12 HD12 ' A' ' 16' ' ' LEU . 2.0 t 64.47 46.37 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 71.439999999999998 111.245 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -149.44 150.0 31.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 73.310000000000002 110.914 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.511 HD12 ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -100.54 137.32 39.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 71.219999999999999 110.868 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.4 m -139.91 165.31 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 72.400000000000006 111.12 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -105.09 112.96 26.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 73.519999999999996 110.894 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.832 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -168.61 169.64 10.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 73.409999999999997 110.909 -179.766 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.25 114.66 19.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 71.219999999999999 110.9 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -156.65 167.94 28.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 62.329999999999998 110.878 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.38 157.62 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 64.140000000000001 111.122 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.797 ' HB1' ' HA ' ' A' ' 30' ' ' TYR . . . -167.39 140.58 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 60.25 111.167 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -15.58 59.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 63.549999999999997 110.899 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.639 ' HB2' HD13 ' A' ' 98' ' ' LEU . . . -147.27 124.88 11.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 60.229999999999997 111.092 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 64.7 m -101.82 129.96 48.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 73.239999999999995 111.15 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.06 135.82 52.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.47 . . . . 42.200000000000003 110.925 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.754 HG23 ' HB3' ' A' ' 33' ' ' ARG . 1.7 m -128.38 131.1 48.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 74.439999999999998 111.094 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 34.2 mtt -157.13 147.47 21.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 74.319999999999993 110.865 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -85.05 163.09 19.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 74.439999999999998 110.867 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.57 -58.44 5.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 75.340000000000003 110.849 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -51.99 -40.97 61.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 74.019999999999996 110.859 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.44 ' HA ' HD13 ' A' ' 70' ' ' ILE . 16.2 mm -58.99 -38.43 73.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 73.310000000000002 111.073 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.636 ' HG3' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -58.92 -42.68 90.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 75.0 110.875 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -71.01 -30.22 66.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 63.32 110.919 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.616 ' HB1' HD21 ' A' ' 79' ' ' LEU . . . -75.84 -59.43 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 72.109999999999999 111.032 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 80.0 mt -71.79 -43.49 69.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 62.020000000000003 111.172 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.56 -40.92 55.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 54.009999999999998 112.473 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 30.7 p -89.4 3.19 53.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.854 0.359 . . . . 74.329999999999998 111.132 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.47 26.31 68.0 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 72.340000000000003 112.435 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.38 -40.72 77.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 51.420000000000002 111.101 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.616 HD21 ' HB1' ' A' ' 73' ' ' ALA . 0.9 OUTLIER -126.61 158.52 67.42 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.646 0.736 . . . . 75.140000000000001 110.924 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 125.54 12.3 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.669 2.246 . . . . 72.450000000000003 112.394 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.66 -26.91 68.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 35.219999999999999 111.088 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -71.1 -56.01 7.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 64.019999999999996 110.899 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.45 -42.42 82.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 73.200000000000003 110.887 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.25 -51.15 56.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 63.32 111.1 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 7.3 mtm -76.14 -26.98 56.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 72.329999999999998 110.907 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.55 -32.51 70.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 44.200000000000003 111.113 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -89.92 28.44 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 63.450000000000003 110.896 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 48.71 28.16 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 74.430000000000007 110.888 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.48 1.01 53.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 64.209999999999994 110.92 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -157.2 151.57 25.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 63.100000000000001 110.854 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -120.72 108.41 13.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 65.450000000000003 110.916 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.0 p -123.32 139.1 51.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.116 -0.493 . . . . 74.540000000000006 111.12 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -131.0 112.51 13.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 71.329999999999998 110.881 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 165.85 167.45 26.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.83 -0.7 . . . . 62.439999999999998 112.491 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.414 ' HB3' ' HG ' ' A' ' 98' ' ' LEU . 0.7 OUTLIER -54.79 117.8 3.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 74.109999999999999 110.912 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.0 t -42.64 -41.9 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 73.329999999999998 111.201 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.87 -50.22 74.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 74.25 110.908 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.639 HD13 ' HB2' ' A' ' 62' ' ' ALA . 80.7 mt -48.08 -54.63 12.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 75.129999999999995 110.864 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.8 pt -71.19 -23.09 22.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 70.209999999999994 111.113 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -76.34 -14.26 60.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.272 -0.422 . . . . 72.329999999999998 110.906 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.91 -38.01 58.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 65.230000000000004 110.93 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.7 mp -83.54 -5.92 59.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 74.319999999999993 110.969 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.601 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 16.8 mt-10 -65.76 -54.89 25.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.633 0.73 . . . . 63.229999999999997 110.852 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.5 Cg_endo -69.68 -8.45 23.63 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.653 2.236 . . . . 73.129999999999995 112.311 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -94.93 -16.47 22.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 74.430000000000007 110.842 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.591 HD12 ' HA ' ' A' ' 103' ' ' GLU . 13.4 mt -56.59 -38.54 57.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 75.540000000000006 111.137 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.5 -40.82 89.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 64.219999999999999 111.085 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 64.310000000000002 110.766 -179.701 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.828 0.346 . . . . 74.230000000000004 110.936 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.401 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 5.5 m -45.17 -30.46 1.17 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.224 -0.444 . . . . 54.530000000000001 110.913 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -54.06 -50.2 67.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.503 . . . . 71.010000000000005 110.824 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.9 -36.42 38.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 65.439999999999998 110.871 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.698 HG11 ' HG3' ' A' ' 71' ' ' MET . 89.2 t -56.56 -61.02 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 74.299999999999997 111.113 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -48.93 -47.15 43.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 72.030000000000001 110.854 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.78 -45.25 93.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 71.400000000000006 111.148 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -56.5 -51.31 68.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 75.319999999999993 110.956 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.3 mt -55.43 -56.8 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 74.530000000000001 111.121 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.1 -53.03 58.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 65.530000000000001 111.154 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -25.82 38.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 74.230000000000004 110.869 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -33.27 55.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 74.549999999999997 110.856 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.506 ' HB2' HG12 ' A' ' 51' ' ' VAL . 5.7 mt -67.72 -39.11 84.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 71.150000000000006 110.932 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -61.6 -18.39 59.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 73.030000000000001 110.898 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 t -74.93 -50.83 15.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 62.030000000000001 110.881 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 16' ' ' LEU . 2.6 mp -48.33 104.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 72.510000000000005 111.094 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.17 144.85 75.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.612 0.72 . . . . 72.219999999999999 110.855 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -17.51 37.41 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.636 2.224 . . . . 73.519999999999996 112.266 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.87 -5.44 43.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.336 -0.393 . . . . 74.400000000000006 111.084 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -164.34 104.21 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 71.219999999999999 110.942 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.5 mmm-85 -109.33 -179.33 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 73.040000000000006 110.897 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -119.5 -79.87 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 73.400000000000006 110.92 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.649 HG12 ' CD2' ' A' ' 28' ' ' HIS . 2.6 t -139.88 112.67 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 62.439999999999998 111.08 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -104.03 126.79 51.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 64.430000000000007 110.938 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.649 ' CD2' HG12 ' A' ' 26' ' ' VAL . 1.4 p80 -167.64 169.18 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 70.019999999999996 110.87 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.2 t -86.86 126.53 40.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 54.229999999999997 111.152 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.641 ' CE1' ' HB3' ' A' ' 62' ' ' ALA . 0.9 OUTLIER -112.95 173.06 6.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 71.040000000000006 110.944 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -138.29 133.85 33.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 74.420000000000002 110.891 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.9 128.01 46.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 73.129999999999995 110.894 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -113.16 135.58 53.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 75.140000000000001 110.947 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.629 ' O ' HG12 ' A' ' 41' ' ' VAL . 27.8 mm -114.22 105.1 18.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 73.200000000000003 111.129 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.514 HG22 ' HA ' ' A' ' 40' ' ' VAL . 6.9 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 73.349999999999994 111.177 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.514 ' HA ' HG22 ' A' ' 35' ' ' THR . 14.7 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.801 0.334 . . . . 63.310000000000002 111.18 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.629 HG12 ' O ' ' A' ' 34' ' ' ILE . 1.4 p -120.62 -20.85 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 44.340000000000003 111.118 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.1 165.08 4.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 64.319999999999993 110.948 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -112.15 151.45 29.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 72.109999999999999 110.883 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -139.89 157.57 45.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 73.329999999999998 110.943 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.643 HG13 ' CG2' ' A' ' 54' ' ' VAL . 1.7 p -145.46 138.62 21.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 60.539999999999999 111.098 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -98.98 116.36 31.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 72.040000000000006 110.906 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -92.22 86.98 5.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 72.400000000000006 110.865 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.3 -6.21 41.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 74.540000000000006 110.893 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.14 -53.99 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 64.209999999999994 110.911 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.405 ' C ' HG23 ' A' ' 51' ' ' VAL . 3.3 m120 -83.87 -8.35 59.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 41.399999999999999 110.889 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.506 HG12 ' HB2' ' A' ' 16' ' ' LEU . 3.0 t 68.7 41.07 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 71.439999999999998 111.065 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.8 ptmt -149.4 156.77 42.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 73.310000000000002 110.883 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.5 mp -102.78 139.51 38.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 71.219999999999999 110.856 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.643 ' CG2' HG13 ' A' ' 45' ' ' VAL . 3.0 m -136.64 157.83 36.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 72.400000000000006 111.091 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.47 101.96 13.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 73.519999999999996 110.896 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.87 164.71 14.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 73.409999999999997 110.921 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.32 117.54 25.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 71.219999999999999 110.83 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -144.12 158.83 43.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 62.329999999999998 110.902 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.07 93.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 64.140000000000001 111.053 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.78 144.63 27.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 60.25 111.086 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.07 -16.9 62.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 63.549999999999997 110.863 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.641 ' HB3' ' CE1' ' A' ' 30' ' ' TYR . . . -144.82 124.36 13.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 60.229999999999997 111.119 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.8 m -106.45 130.26 54.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 73.239999999999995 111.121 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 mp -128.28 107.07 9.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 42.200000000000003 110.923 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 91' ' ' GLU . 1.2 t -98.56 134.5 41.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 74.439999999999998 111.17 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.564 ' HG2' HG21 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -159.89 152.27 20.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 74.319999999999993 110.824 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -83.74 158.56 21.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 74.439999999999998 110.868 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.84 -58.84 3.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 75.340000000000003 110.854 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.55 -47.23 63.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 74.019999999999996 110.855 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.564 HG21 ' HG2' ' A' ' 66' ' ' MET . 15.0 mm -53.03 -44.95 51.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 73.310000000000002 111.084 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.698 ' HG3' HG11 ' A' ' 8' ' ' VAL . 3.0 tpp -50.76 -42.39 57.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 75.0 110.886 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -68.09 -31.05 70.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 63.32 110.858 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.704 ' HB1' ' HG ' ' A' ' 79' ' ' LEU . . . -75.96 -59.49 2.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 72.109999999999999 111.083 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 44.7 mt -66.61 -46.27 86.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 62.020000000000003 111.113 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.52 -36.89 48.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 54.009999999999998 112.46 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 43.4 p -93.83 5.3 52.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.829 0.347 . . . . 74.329999999999998 111.139 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.37 32.01 71.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.824 -0.703 . . . . 72.340000000000003 112.43 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.37 -39.59 59.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.813 0.34 . . . . 51.420000000000002 111.132 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.704 ' HG ' ' HB1' ' A' ' 73' ' ' ALA . 0.8 OUTLIER -125.4 155.72 71.28 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.628 0.727 . . . . 75.140000000000001 110.944 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 126.52 13.39 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.665 2.244 . . . . 72.450000000000003 112.375 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.546 ' HB1' ' HE3' ' A' ' 85' ' ' MET . . . -64.42 -34.92 79.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 35.219999999999999 111.051 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -65.28 -54.76 24.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 64.019999999999996 110.934 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.12 -45.36 93.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 73.200000000000003 110.886 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.63 -50.08 55.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 63.32 111.047 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.546 ' HE3' ' HB1' ' A' ' 81' ' ' ALA . 8.2 mtt -77.32 -26.7 52.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 72.329999999999998 110.861 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.66 -29.27 69.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 44.200000000000003 111.137 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -88.22 29.03 0.99 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 63.450000000000003 110.908 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.0 t0 46.57 28.16 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 74.430000000000007 110.948 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.77 5.16 49.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 64.209999999999994 110.91 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.468 ' HG2' ' HG3' ' A' ' 66' ' ' MET . 0.0 OUTLIER -165.82 152.19 9.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 63.100000000000001 110.883 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.623 ' O ' HG22 ' A' ' 65' ' ' THR . 1.4 mt-10 -117.25 108.92 16.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 65.450000000000003 110.884 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.7 m -115.65 139.94 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 74.540000000000006 111.082 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -132.38 113.31 13.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 71.329999999999998 110.835 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.75 167.55 27.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.646 -0.788 . . . . 62.439999999999998 112.411 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.435 ' HB3' HD23 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -57.03 120.31 7.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 74.109999999999999 110.863 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 53.3 t -42.18 -43.35 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 73.329999999999998 111.171 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -46.75 72.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.064 -0.516 . . . . 74.25 110.972 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.435 HD23 ' HB3' ' A' ' 95' ' ' GLN . 0.9 OUTLIER -48.78 -54.62 14.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 75.129999999999995 110.933 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.8 pp -71.11 -15.59 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 70.209999999999994 111.134 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -83.62 -10.65 58.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 72.329999999999998 110.874 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.456 ' HG ' HG21 ' A' ' 26' ' ' VAL . 1.4 mm? -75.81 -37.56 59.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 65.230000000000004 110.93 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.9 mp -84.96 -6.21 59.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.319999999999993 110.914 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.628 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 10.9 mt-10 -64.15 -53.35 48.36 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.677 0.751 . . . . 63.229999999999997 110.883 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.628 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.6 Cg_endo -69.83 -8.54 23.85 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.675 2.25 . . . . 73.129999999999995 112.369 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -96.18 -17.25 20.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 74.430000000000007 110.82 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.597 HD12 ' HA ' ' A' ' 103' ' ' GLU . 18.0 mt -54.93 -47.37 76.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 75.540000000000006 111.132 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.0 80.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 64.219999999999999 111.117 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 64.310000000000002 110.877 -179.827 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.775 0.321 . . . . 74.230000000000004 110.887 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.71 -32.11 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 54.530000000000001 110.879 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -53.62 -50.91 64.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 71.010000000000005 110.875 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -52.1 -39.89 60.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 65.439999999999998 110.853 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.462 HG21 ' C ' ' A' ' 71' ' ' MET . 66.5 t -52.26 -59.98 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.299999999999997 111.165 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -49.65 -45.81 48.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 72.030000000000001 110.93 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.54 -44.4 89.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 71.400000000000006 111.056 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -64.1 -53.25 52.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 75.319999999999993 110.909 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.5 mt -56.94 -55.14 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 74.530000000000001 111.153 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.58 -53.41 38.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 65.530000000000001 111.069 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -54.09 -29.72 45.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 74.230000000000004 110.851 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -33.89 65.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 74.549999999999997 110.903 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.727 ' HB3' HD12 ' A' ' 19' ' ' ILE . 10.3 mt -65.69 -21.84 66.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 71.150000000000006 110.959 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -54.68 -22.95 15.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 73.030000000000001 110.838 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 t -85.49 -23.51 27.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 62.030000000000001 110.91 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.727 HD12 ' HB3' ' A' ' 16' ' ' LEU . 96.3 mt -49.6 104.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 72.510000000000005 111.146 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.41 143.38 27.98 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.676 0.751 . . . . 72.219999999999999 110.844 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -17.3 37.66 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.721 2.281 . . . . 73.519999999999996 112.3 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.5 -5.7 44.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 74.400000000000006 111.15 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -169.08 103.33 0.38 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 71.219999999999999 110.885 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.71 ' CZ ' HG23 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -130.52 174.68 9.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 73.040000000000006 110.932 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -128.02 -59.52 1.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 73.400000000000006 110.916 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.689 HG12 ' CD2' ' A' ' 28' ' ' HIS . 4.3 t -145.13 112.0 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 62.439999999999998 111.128 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.57 124.58 51.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 64.430000000000007 110.853 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.689 ' CD2' HG12 ' A' ' 26' ' ' VAL . 8.9 p80 -171.17 -179.51 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 70.019999999999996 110.911 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -86.07 128.04 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 54.229999999999997 111.152 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.467 ' O ' HG23 ' A' ' 45' ' ' VAL . 10.6 m-85 -107.72 173.24 6.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 71.040000000000006 110.942 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -139.83 130.51 25.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 74.420000000000002 110.933 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -127.34 133.0 50.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 73.129999999999995 110.81 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.681 ' HB2' HG23 ' A' ' 65' ' ' THR . 7.2 mtt85 -118.09 134.05 55.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 75.140000000000001 110.847 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.732 ' O ' HG12 ' A' ' 41' ' ' VAL . 33.6 mm -109.53 93.76 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 73.200000000000003 111.108 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.736 HG22 ' HA ' ' A' ' 40' ' ' VAL . 36.2 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 73.349999999999994 111.189 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.736 ' HA ' HG22 ' A' ' 35' ' ' THR . 21.9 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.933 0.397 . . . . 63.310000000000002 111.06 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.732 HG12 ' O ' ' A' ' 34' ' ' ILE . 1.3 p -121.21 -18.77 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 44.340000000000003 111.133 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -168.05 163.39 13.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 64.319999999999993 110.905 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -113.42 152.52 29.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 72.109999999999999 110.946 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.41 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -142.33 156.89 45.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 73.329999999999998 110.937 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.671 HG13 ' CG2' ' A' ' 54' ' ' VAL . 1.9 p -146.88 138.53 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 60.539999999999999 111.155 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -99.54 119.22 37.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 72.040000000000006 110.843 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -98.08 95.15 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 72.400000000000006 110.873 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.7 mt -79.38 0.69 28.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 74.540000000000006 110.892 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.73 -55.52 4.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 64.209999999999994 110.907 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -88.6 -7.76 55.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 41.399999999999999 110.855 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.5 t 69.02 45.13 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 71.439999999999998 111.173 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -149.58 137.51 20.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 73.310000000000002 110.888 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.81 139.82 31.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 71.219999999999999 110.938 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.671 ' CG2' HG13 ' A' ' 45' ' ' VAL . 3.1 m -138.95 161.13 29.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 72.400000000000006 111.13 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -103.09 107.52 18.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 73.519999999999996 110.855 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.49 164.46 12.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 73.409999999999997 110.855 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -117.73 117.09 28.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.125 -0.489 . . . . 71.219999999999999 110.844 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -148.04 157.83 43.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 62.329999999999998 110.897 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.64 93.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 64.140000000000001 111.036 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.27 146.71 24.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 60.25 111.101 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.58 -21.58 66.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 63.549999999999997 110.857 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.34 124.37 15.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 60.229999999999997 111.067 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 53.9 m -98.26 128.54 44.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 73.239999999999995 111.152 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.04 111.19 16.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 42.200000000000003 110.978 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.681 HG23 ' HB2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -109.97 129.55 55.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 74.439999999999998 111.129 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.603 ' HG2' HG21 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -159.31 162.33 35.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 74.319999999999993 110.9 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -92.38 160.94 14.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 74.439999999999998 110.926 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.4 -57.97 5.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 75.340000000000003 110.85 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.76 -33.57 23.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 74.019999999999996 110.823 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.603 HG21 ' HG2' ' A' ' 66' ' ' MET . 15.1 mm -74.88 -33.32 29.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 73.310000000000002 111.108 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.462 ' C ' HG21 ' A' ' 8' ' ' VAL . 8.4 mmt -60.16 -47.98 83.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.484 . . . . 75.0 110.837 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.728 ' O ' HG22 ' A' ' 76' ' ' THR . 83.6 t80 -71.35 -30.39 66.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 63.32 110.906 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.92 -59.38 2.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 72.109999999999999 111.094 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 57.8 mt -72.7 -35.36 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 62.020000000000003 111.131 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.11 -41.6 38.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 54.009999999999998 112.484 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.728 HG22 ' O ' ' A' ' 72' ' ' PHE . 5.2 t -98.79 4.44 47.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.879 0.371 . . . . 74.329999999999998 111.192 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.67 31.91 81.44 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.716 -0.754 . . . . 72.340000000000003 112.502 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.64 -37.82 87.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 51.420000000000002 111.117 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.402 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -123.74 159.4 56.0 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.635 0.731 . . . . 75.140000000000001 110.927 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 119.42 6.37 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.705 2.27 . . . . 72.450000000000003 112.324 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.668 ' HB1' ' HE1' ' A' ' 85' ' ' MET . . . -62.61 -26.23 68.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 35.219999999999999 111.073 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -56.42 6.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.296 -0.411 . . . . 64.019999999999996 110.872 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -63.05 -44.38 96.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 73.200000000000003 110.92 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.47 ' HB1' ' CE ' ' A' ' 90' ' ' MET . . . -51.52 -51.3 56.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.488 . . . . 63.32 111.153 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.668 ' HE1' ' HB1' ' A' ' 81' ' ' ALA . 5.2 mtt -75.88 -26.64 57.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 72.329999999999998 110.852 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.63 -33.22 71.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 44.200000000000003 111.093 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -87.95 28.14 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 63.450000000000003 110.955 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 47.57 28.56 1.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 74.430000000000007 110.914 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.08 6.75 46.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 64.209999999999994 110.801 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.47 ' CE ' ' HB1' ' A' ' 84' ' ' ALA . 1.6 mtm -150.4 142.48 24.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 63.100000000000001 110.876 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -117.52 108.85 16.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 65.450000000000003 110.863 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.4 t -131.41 139.01 51.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 74.540000000000006 111.13 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -131.1 113.37 13.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 71.329999999999998 110.873 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.88 167.55 27.74 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.717 -0.754 . . . . 62.439999999999998 112.441 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.62 119.19 4.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 74.109999999999999 110.902 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.9 t -42.75 -44.29 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 73.329999999999998 111.1 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.92 -50.37 73.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 74.25 110.93 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.666 HD22 ' NE2' ' A' ' 28' ' ' HIS . 70.1 mt -48.3 -54.33 14.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 75.129999999999995 110.919 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 28.9 pt -70.25 -21.77 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 70.209999999999994 111.146 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -79.63 -13.9 59.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 72.329999999999998 110.824 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.56 -40.89 56.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 65.230000000000004 111.005 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.5 mp -82.42 -7.05 59.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 74.319999999999993 110.93 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.626 ' HA ' HD12 ' A' ' 106' ' ' ILE . 13.4 mt-10 -62.52 -55.31 40.5 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.662 0.744 . . . . 63.229999999999997 110.909 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.9 Cg_endo -69.76 -9.08 25.23 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.721 2.28 . . . . 73.129999999999995 112.362 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -95.54 -16.97 21.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 74.430000000000007 110.879 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.626 HD12 ' HA ' ' A' ' 103' ' ' GLU . 16.2 mt -55.3 -46.16 78.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 75.540000000000006 111.14 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.19 -37.99 89.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 64.219999999999999 111.073 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 64.310000000000002 110.904 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.805 0.336 . . . . 74.230000000000004 110.884 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 p -44.63 -30.88 0.99 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 54.530000000000001 110.866 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.22 -50.0 68.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 71.010000000000005 110.884 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -53.22 -39.18 63.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 65.439999999999998 110.887 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.449 HG11 ' SD ' ' A' ' 71' ' ' MET . 73.3 t -57.46 -57.94 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 74.299999999999997 111.134 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -48.7 -44.51 38.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 72.030000000000001 110.923 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.18 -49.3 74.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 71.400000000000006 111.113 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -51.48 -51.84 51.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 75.319999999999993 110.893 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.3 mt -51.88 -58.91 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.530000000000001 111.191 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.74 -49.97 35.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 65.530000000000001 111.119 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -43.58 76.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 74.230000000000004 110.937 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -58.46 -37.25 75.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 74.549999999999997 110.923 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.834 ' HB2' HG13 ' A' ' 51' ' ' VAL . 3.2 mt -61.74 -18.78 61.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 71.150000000000006 110.981 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.719 ' HG2' HG11 ' A' ' 51' ' ' VAL . 50.5 mt-10 -80.63 -16.97 52.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 73.030000000000001 110.962 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.9 m -74.48 -46.11 41.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 62.030000000000001 110.845 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.4 mp -48.14 104.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 72.510000000000005 111.11 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.79 144.07 47.8 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.579 0.704 . . . . 72.219999999999999 110.882 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -21.49 33.44 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.676 2.251 . . . . 73.519999999999996 112.38 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.92 8.88 21.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 74.400000000000006 111.13 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -167.27 104.59 0.54 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 71.219999999999999 110.864 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 -109.47 175.26 5.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 73.040000000000006 110.928 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -115.34 -79.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 73.400000000000006 110.958 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.4 t -142.66 101.73 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 62.439999999999998 111.12 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -82.91 126.43 32.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 64.430000000000007 110.878 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.515 ' O ' HD13 ' A' ' 48' ' ' LEU . 2.5 m-70 -169.36 170.69 8.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 70.019999999999996 110.879 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.458 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 72.6 t -98.62 136.27 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 54.229999999999997 111.097 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.761 ' CD1' ' HB3' ' A' ' 62' ' ' ALA . 12.5 m-85 -126.66 166.89 16.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.252 -0.431 . . . . 71.040000000000006 110.891 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -139.06 137.88 36.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 74.420000000000002 110.869 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.26 150.1 34.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 73.129999999999995 110.921 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.753 ' CB ' HG23 ' A' ' 65' ' ' THR . 0.0 OUTLIER -125.22 126.34 45.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 75.140000000000001 110.895 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.711 ' O ' HG12 ' A' ' 41' ' ' VAL . 30.1 mm -107.34 92.43 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 73.200000000000003 111.196 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.706 HG22 ' HA ' ' A' ' 40' ' ' VAL . 7.9 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 73.349999999999994 111.175 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.706 ' HA ' HG22 ' A' ' 35' ' ' THR . 12.3 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.984 0.421 . . . . 63.310000000000002 111.071 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.711 HG12 ' O ' ' A' ' 34' ' ' ILE . 1.2 p -123.51 -19.25 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 44.340000000000003 111.138 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.13 165.17 3.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 64.319999999999993 110.877 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.15 153.22 31.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 72.109999999999999 110.872 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.442 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.6 OUTLIER -132.3 149.87 52.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.473 . . . . 73.329999999999998 110.94 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 56' ' ' SER . 82.6 t -126.21 138.74 53.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 60.539999999999999 111.143 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.479 ' HG3' HD11 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -100.53 97.53 8.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 72.040000000000006 110.898 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -83.7 91.92 7.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 72.400000000000006 110.919 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.515 HD13 ' O ' ' A' ' 28' ' ' HIS . 6.9 mp -81.92 -3.49 54.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 74.540000000000006 110.942 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -86.21 -56.13 3.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 64.209999999999994 110.931 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.95 -9.43 51.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 41.399999999999999 110.86 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.834 HG13 ' HB2' ' A' ' 16' ' ' LEU . 21.1 t 69.89 48.72 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 71.439999999999998 111.103 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -148.1 122.85 9.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 73.310000000000002 110.899 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.479 HD11 ' HG3' ' A' ' 46' ' ' MET . 3.3 mp -83.7 100.34 10.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 71.219999999999999 110.902 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 m -96.22 175.77 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 72.400000000000006 111.11 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.442 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 2.3 pt-20 -109.44 113.44 26.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.483 . . . . 73.519999999999996 110.932 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.486 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -166.72 166.23 15.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 73.409999999999997 110.843 -179.717 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.27 117.39 25.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.095 -0.502 . . . . 71.219999999999999 110.803 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.66 162.82 40.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 62.329999999999998 110.832 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.01 90.8 2.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 64.140000000000001 111.078 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.458 ' HB1' ' O ' ' A' ' 29' ' ' VAL . . . -91.42 159.48 15.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 60.25 111.123 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.58 -25.82 68.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 63.549999999999997 110.93 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.761 ' HB3' ' CD1' ' A' ' 30' ' ' TYR . . . -139.0 124.35 19.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 60.229999999999997 111.141 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.594 ' C ' HD13 ' A' ' 64' ' ' LEU . 37.8 m -112.8 123.68 50.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 73.239999999999995 111.123 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.594 HD13 ' C ' ' A' ' 63' ' ' THR . 0.3 OUTLIER -114.06 104.58 12.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 42.200000000000003 110.91 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.753 HG23 ' CB ' ' A' ' 33' ' ' ARG . 1.8 m -99.22 124.54 44.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.257 -0.429 . . . . 74.439999999999998 111.174 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.621 ' HG2' HG21 ' A' ' 70' ' ' ILE . 2.0 mtp -153.47 141.37 20.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 74.319999999999993 110.868 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.61 157.09 38.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 74.439999999999998 110.862 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.62 -56.66 6.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 75.340000000000003 110.816 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.458 ' O ' ' CE2' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -49.87 -33.41 16.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 74.019999999999996 110.863 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.621 HG21 ' HG2' ' A' ' 66' ' ' MET . 13.1 mm -83.72 -22.24 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 73.310000000000002 111.124 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.449 ' SD ' HG11 ' A' ' 8' ' ' VAL . 29.5 tpp -61.02 -53.04 62.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 75.0 110.902 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.503 ' C ' ' CD1' ' A' ' 72' ' ' PHE . 3.0 p90 -68.07 -29.34 68.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 63.32 110.823 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.67 -60.31 2.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 72.109999999999999 111.133 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.481 HG21 ' HE1' ' A' ' 66' ' ' MET . 7.1 mm -59.47 -47.32 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.389 . . . . 62.020000000000003 111.128 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -53.1 -33.85 45.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 54.009999999999998 112.433 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 69.2 p -99.25 4.34 46.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 74.329999999999998 111.131 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.39 44.06 98.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.741 . . . . 72.340000000000003 112.515 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.32 -42.4 9.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 51.420000000000002 111.098 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.6 mt -107.32 146.55 33.48 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.625 0.726 . . . . 75.140000000000001 110.884 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 114.01 3.57 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.271 . . . . 72.450000000000003 112.309 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.473 ' HB1' ' HE1' ' A' ' 85' ' ' MET . . . -57.19 -31.7 65.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 35.219999999999999 111.051 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -71.1 -53.05 15.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 64.019999999999996 110.927 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.61 -44.91 95.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 73.200000000000003 110.885 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.04 -51.6 51.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 63.32 111.09 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.473 ' HE1' ' HB1' ' A' ' 81' ' ' ALA . 6.2 mtt -75.85 -26.84 57.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 72.329999999999998 110.863 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.38 -32.63 70.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 44.200000000000003 111.142 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -90.16 27.79 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 63.450000000000003 110.91 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 46.85 29.47 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 74.430000000000007 110.909 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.94 5.45 51.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 64.209999999999994 110.868 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -160.14 150.54 18.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 63.100000000000001 110.836 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -121.34 107.95 13.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 65.450000000000003 110.955 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.9 p -112.85 137.47 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 74.540000000000006 111.129 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -130.55 112.26 13.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 71.329999999999998 110.871 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.1 167.45 26.77 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 62.439999999999998 112.489 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.463 ' HB3' HD23 ' A' ' 98' ' ' LEU . 4.3 tp60 -58.22 125.15 21.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.877 0.37 . . . . 74.109999999999999 110.905 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 67.0 t -42.22 -49.11 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 73.329999999999998 111.099 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.557 ' O ' HD23 ' A' ' 101' ' ' LEU . 3.9 mt-10 -61.16 -47.21 87.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 74.25 110.94 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.47 HD12 ' HE1' ' A' ' 30' ' ' TYR . 1.4 mm? -47.92 -54.25 13.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 75.129999999999995 110.921 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.477 HG22 HD11 ' A' ' 64' ' ' LEU . 33.2 pt -68.73 -25.82 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 70.209999999999994 111.098 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -76.16 -16.31 59.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 72.329999999999998 110.892 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 97' ' ' GLU . 3.4 mm? -75.72 -31.76 59.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 65.230000000000004 110.925 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.5 mp -86.19 -8.61 57.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.319999999999993 110.98 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.644 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 27.1 mt-10 -63.64 -51.35 66.77 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.695 0.76 . . . . 63.229999999999997 110.934 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.644 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.4 Cg_endo -69.79 -10.1 27.7 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.714 2.276 . . . . 73.129999999999995 112.34 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -95.59 -17.23 21.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 74.430000000000007 110.862 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' A' ' 103' ' ' GLU . 24.7 mt -56.0 -44.83 79.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 75.540000000000006 111.095 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.65 -41.88 91.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 64.219999999999999 111.112 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 64.310000000000002 110.891 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.798 0.332 . . . . 74.230000000000004 110.949 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.466 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 0.9 OUTLIER -44.99 -28.24 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 54.530000000000001 110.911 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -54.24 -43.47 70.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 71.010000000000005 110.91 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -55.01 -37.2 66.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 65.439999999999998 110.852 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.889 HG21 ' HA ' ' A' ' 72' ' ' PHE . 32.5 t -53.81 -61.17 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 74.299999999999997 111.107 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.4 ' CD1' ' HE3' ' A' ' 71' ' ' MET . 3.2 m-85 -49.42 -43.34 44.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 72.030000000000001 110.903 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.84 92.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 71.400000000000006 111.077 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -54.31 -48.55 71.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 75.319999999999993 110.876 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.5 mt -53.78 -50.89 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 74.530000000000001 111.148 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.74 -52.71 63.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 65.530000000000001 111.08 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -29.52 58.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 74.230000000000004 110.803 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -34.69 67.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.29 -0.414 . . . . 74.549999999999997 110.886 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.421 ' HB2' HG12 ' A' ' 51' ' ' VAL . 7.1 mt -63.14 -28.62 70.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 71.150000000000006 110.908 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -57.18 -24.0 51.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 73.030000000000001 110.882 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.51 -25.43 57.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 62.030000000000001 110.917 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.416 HD12 ' HB3' ' A' ' 16' ' ' LEU . 31.0 mt -49.47 105.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.515 . . . . 72.510000000000005 111.147 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.72 144.56 28.06 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.603 0.716 . . . . 72.219999999999999 110.873 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -16.11 37.37 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.725 2.284 . . . . 73.519999999999996 112.357 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.15 -4.91 41.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 74.400000000000006 111.134 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.66 104.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 71.219999999999999 110.853 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.2 mmm-85 -111.23 176.82 4.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 73.040000000000006 110.841 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -119.83 -79.88 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 73.400000000000006 110.945 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.67 HG21 HD23 ' A' ' 98' ' ' LEU . 6.8 p -141.95 114.19 3.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 62.439999999999998 111.123 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.08 125.18 50.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 64.430000000000007 110.891 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.61 179.05 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 70.019999999999996 110.894 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.9 t -94.45 127.31 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 54.229999999999997 111.143 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.588 ' OH ' HD22 ' A' ' 98' ' ' LEU . 23.0 m-85 -117.78 172.53 7.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 71.040000000000006 110.961 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -137.77 133.86 34.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 74.420000000000002 110.928 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.41 115.68 19.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 73.129999999999995 110.911 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.406 ' HB2' HG23 ' A' ' 65' ' ' THR . 0.0 OUTLIER -94.9 133.36 38.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 75.140000000000001 110.89 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.7 mm -115.34 135.84 54.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 73.200000000000003 111.16 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.6 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 73.349999999999994 111.139 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.842 0.353 . . . . 63.310000000000002 111.174 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.7 p -86.97 -34.99 8.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 44.340000000000003 111.135 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.71 149.54 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 64.319999999999993 110.877 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -86.68 162.12 18.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 72.109999999999999 110.867 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.488 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.7 OUTLIER -138.25 149.92 46.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 73.329999999999998 110.83 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 56' ' ' SER . 28.3 t -124.62 141.06 45.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 60.539999999999999 111.113 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.408 ' SD ' HD21 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -100.29 101.55 12.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 72.040000000000006 110.908 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.37 80.49 7.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 72.400000000000006 110.933 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mp -74.33 -14.3 60.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 74.540000000000006 110.89 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -81.72 -51.6 8.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 64.209999999999994 110.872 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -85.66 -5.86 59.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 41.399999999999999 110.878 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.421 HG12 ' HB2' ' A' ' 16' ' ' LEU . 3.5 t 69.25 46.68 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 71.439999999999998 111.128 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -147.91 171.19 16.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 73.310000000000002 110.881 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.413 ' CD1' HD11 ' A' ' 16' ' ' LEU . 3.6 mp -131.18 100.74 5.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 71.219999999999999 110.891 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -99.43 172.1 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 72.400000000000006 111.115 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.488 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.1 pp20? -104.63 110.85 23.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 73.519999999999996 110.897 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.702 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -167.07 166.74 15.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 73.409999999999997 110.91 -179.793 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.2 117.88 23.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 71.219999999999999 110.883 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.52 163.02 38.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 62.329999999999998 110.875 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.34 92.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 64.140000000000001 111.103 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.49 149.73 20.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 60.25 111.088 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.19 -22.21 66.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 63.549999999999997 110.928 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.56 123.79 19.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 60.229999999999997 111.068 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.2 m -101.3 125.66 47.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 73.239999999999995 111.158 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.542 ' HA ' HG12 ' A' ' 92' ' ' VAL . 1.1 mt -121.01 104.99 10.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 42.200000000000003 110.941 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.406 HG23 ' HB2' ' A' ' 33' ' ' ARG . 0.9 OUTLIER -101.89 126.83 48.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 74.439999999999998 111.138 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.612 ' HG2' HG21 ' A' ' 70' ' ' ILE . 4.9 mtt -154.13 141.57 19.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 74.319999999999993 110.903 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -74.18 154.88 38.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 74.439999999999998 110.908 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.96 -55.29 15.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 75.340000000000003 110.875 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.403 ' HA ' ' CE2' ' A' ' 72' ' ' PHE . 4.2 m-20 -51.4 -28.95 14.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 74.019999999999996 110.826 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.612 HG21 ' HG2' ' A' ' 66' ' ' MET . 14.7 mm -83.45 -22.83 8.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 73.310000000000002 111.205 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.473 ' CG ' ' N ' ' A' ' 72' ' ' PHE . 1.2 ptt? -61.75 -46.47 89.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 75.0 110.915 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.889 ' HA ' HG21 ' A' ' 8' ' ' VAL . 2.9 p90 -76.95 -28.55 55.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 63.32 110.917 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.95 -59.44 3.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 72.109999999999999 111.121 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 53.8 mt -75.62 -32.86 25.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 62.020000000000003 111.112 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.85 -41.42 44.23 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.761 -0.733 . . . . 54.009999999999998 112.493 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.732 HG22 ' O ' ' A' ' 72' ' ' PHE . 6.2 t -98.5 12.34 35.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 74.329999999999998 111.164 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 58.0 30.03 63.0 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.688 -0.768 . . . . 72.340000000000003 112.489 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.02 -40.91 74.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.76 0.314 . . . . 51.420000000000002 111.051 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.2 mt -121.38 157.83 55.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.613 0.72 . . . . 75.140000000000001 110.912 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 117.44 5.08 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.681 2.254 . . . . 72.450000000000003 112.343 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.524 ' O ' ' HE3' ' A' ' 85' ' ' MET . . . -59.56 -38.44 81.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 35.219999999999999 111.109 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -62.48 -50.53 71.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 64.019999999999996 110.905 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.34 -45.09 95.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 73.200000000000003 110.896 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.92 -50.42 57.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.493 . . . . 63.32 111.144 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.524 ' HE3' ' O ' ' A' ' 81' ' ' ALA . 5.9 mtt -76.11 -26.86 56.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 72.329999999999998 110.931 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.96 -31.54 71.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 44.200000000000003 111.121 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -88.83 28.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 63.450000000000003 110.917 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 47.61 27.83 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 74.430000000000007 110.866 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.09 3.38 49.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 64.209999999999994 110.932 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.401 ' HE1' ' HG3' ' A' ' 85' ' ' MET . 1.1 mpp? -158.76 152.34 23.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 63.100000000000001 110.865 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -125.29 108.13 11.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 65.450000000000003 110.899 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.542 HG12 ' HA ' ' A' ' 64' ' ' LEU . 6.2 m -121.25 144.32 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 74.540000000000006 111.187 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -133.6 112.47 11.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 71.329999999999998 110.826 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.61 167.98 28.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.794 -0.717 . . . . 62.439999999999998 112.502 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.462 ' HB2' HD12 ' A' ' 98' ' ' LEU . 1.8 tp60 -55.02 115.34 2.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.371 . . . . 74.109999999999999 110.914 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.7 t -43.21 -44.42 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 73.329999999999998 111.08 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.556 ' O ' HD23 ' A' ' 101' ' ' LEU . 3.8 mt-10 -56.67 -50.1 73.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 74.25 110.891 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.67 HD23 HG21 ' A' ' 26' ' ' VAL . 70.8 mt -48.21 -54.1 14.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 75.129999999999995 110.927 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.506 HG22 HD21 ' A' ' 64' ' ' LEU . 34.6 pt -70.71 -24.21 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 70.209999999999994 111.096 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -77.33 -15.05 59.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 72.329999999999998 110.873 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 97' ' ' GLU . 3.0 mm? -75.15 -32.52 61.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 65.230000000000004 110.924 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.6 mp -87.13 -7.71 57.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 74.319999999999993 110.886 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.644 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 12.7 mt-10 -63.52 -52.11 62.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.685 0.755 . . . . 63.229999999999997 110.948 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.644 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 54.6 Cg_endo -69.67 -8.48 23.71 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.763 2.309 . . . . 73.129999999999995 112.329 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -97.44 -16.6 20.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 74.430000000000007 110.965 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 103' ' ' GLU . 27.1 mt -55.67 -41.03 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 75.540000000000006 111.15 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.08 -40.13 82.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 64.219999999999999 111.121 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 64.310000000000002 110.833 -179.732 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.789 0.328 . . . . 74.230000000000004 110.91 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.403 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 4.3 m -45.76 -27.03 0.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 54.530000000000001 110.894 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -53.71 -47.76 70.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 71.010000000000005 110.845 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.26 -38.12 57.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 65.439999999999998 110.88 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.572 HG21 ' C ' ' A' ' 71' ' ' MET . 77.6 t -55.05 -58.22 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 74.299999999999997 111.221 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -51.57 -43.28 62.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.504 . . . . 72.030000000000001 110.881 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.66 -44.19 87.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 71.400000000000006 111.133 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -58.09 -51.41 69.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 75.319999999999993 110.897 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.5 mt -54.75 -54.14 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 74.530000000000001 111.117 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.864 ' HA ' HD23 ' A' ' 16' ' ' LEU . . . -57.1 -55.52 33.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 65.530000000000001 111.173 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -57.51 -30.96 65.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 74.230000000000004 110.855 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -37.32 53.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 74.549999999999997 110.801 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.864 HD23 ' HA ' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -69.98 -20.61 63.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 71.150000000000006 110.886 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.553 ' HG2' HG12 ' A' ' 51' ' ' VAL . 34.6 mt-10 -64.93 -13.93 58.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 73.030000000000001 110.907 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.24 -17.4 60.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 62.030000000000001 110.859 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.568 HD12 HD12 ' A' ' 16' ' ' LEU . 44.9 mt -46.15 137.27 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 72.510000000000005 111.142 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.3 143.8 31.06 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.612 0.72 . . . . 72.219999999999999 110.879 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -7.64 21.57 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.716 2.278 . . . . 73.519999999999996 112.318 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.69 -4.3 58.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 74.400000000000006 111.093 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.69 107.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 71.219999999999999 110.857 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.409 ' NE ' HG21 ' A' ' 19' ' ' ILE . 43.6 mmm-85 -102.13 176.45 5.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 73.040000000000006 110.86 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.522 ' HG3' HD22 ' A' ' 101' ' ' LEU . 2.6 tp60 -110.07 -48.51 3.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 73.400000000000006 110.923 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.477 ' HB ' ' O ' ' A' ' 25' ' ' GLN . 7.8 p 175.76 127.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 62.439999999999998 111.177 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -99.34 123.63 43.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 64.430000000000007 110.904 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.09 179.34 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 70.019999999999996 110.839 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.3 t -103.93 132.83 49.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 54.229999999999997 111.122 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.41 ' HB2' ' HB2' ' A' ' 46' ' ' MET . 51.7 m-85 -116.98 169.25 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 71.040000000000006 110.936 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -138.38 132.23 31.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 74.420000000000002 110.869 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' TRP . 0.3 OUTLIER -127.86 115.3 18.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 73.129999999999995 110.905 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.666 ' HB3' HG23 ' A' ' 65' ' ' THR . 0.0 OUTLIER -96.75 133.69 40.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 75.140000000000001 110.852 -179.868 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.1 mm -115.34 112.52 40.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 73.200000000000003 111.187 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.614 HG22 ' HA ' ' A' ' 40' ' ' VAL . 16.6 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 73.349999999999994 111.148 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.614 ' HA ' HG22 ' A' ' 35' ' ' THR . 39.3 t . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.969 0.414 . . . . 63.310000000000002 111.056 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.8 p -86.35 -35.61 9.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.134 -0.485 . . . . 44.340000000000003 111.19 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.46 150.23 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 64.319999999999993 110.878 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -90.68 165.49 13.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 72.109999999999999 110.889 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.489 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.8 OUTLIER -140.77 142.94 34.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.188 -0.46 . . . . 73.329999999999998 110.961 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 56' ' ' SER . 71.1 t -124.36 141.56 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 60.539999999999999 111.127 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.481 ' SD ' HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -101.93 100.08 10.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 72.040000000000006 110.871 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.34 85.12 6.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 72.400000000000006 110.909 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.3 mp -75.97 -7.95 55.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 74.540000000000006 110.894 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -84.66 -55.92 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 64.209999999999994 110.904 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -83.86 -5.69 59.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 41.399999999999999 110.89 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.696 HG13 HD11 ' A' ' 16' ' ' LEU . 11.4 t 69.53 47.98 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 71.439999999999998 111.104 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -148.47 166.17 28.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 73.310000000000002 110.936 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.554 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -124.64 100.49 6.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 71.219999999999999 110.912 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 m -97.58 176.91 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 72.400000000000006 111.112 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.489 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.5 pt-20 -109.96 114.23 27.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 73.519999999999996 110.866 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.569 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -167.52 167.38 13.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 73.409999999999997 110.828 -179.772 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -125.59 117.49 23.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 71.219999999999999 110.896 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.32 163.13 39.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 62.329999999999998 110.826 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.77 92.4 1.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 64.140000000000001 111.11 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.26 159.15 15.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 60.25 111.064 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -23.45 67.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 63.549999999999997 110.914 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.1 123.56 18.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 60.229999999999997 111.102 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 74.9 m -102.09 126.2 48.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 73.239999999999995 111.204 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.27 105.03 9.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 42.200000000000003 110.901 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.666 HG23 ' HB3' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -99.87 127.4 46.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 74.439999999999998 111.122 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -153.83 141.5 19.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 74.319999999999993 110.865 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -76.95 155.7 32.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 74.439999999999998 110.85 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.16 -53.13 17.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 75.340000000000003 110.812 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.424 ' HA ' ' CE2' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -50.57 -34.19 24.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 74.019999999999996 110.801 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.402 HD13 ' HA ' ' A' ' 70' ' ' ILE . 15.3 mm -77.95 -22.63 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 73.310000000000002 111.092 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.572 ' C ' HG21 ' A' ' 8' ' ' VAL . 3.1 tpp -63.26 -51.13 67.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 75.0 110.886 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.495 ' C ' ' CD1' ' A' ' 72' ' ' PHE . 2.6 p90 -71.63 -29.18 64.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 63.32 110.878 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.36 -59.95 2.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 72.109999999999999 111.04 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.1 mt -70.61 -43.38 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 62.020000000000003 111.182 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -53.18 -37.99 55.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.747 . . . . 54.009999999999998 112.528 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.4 p -93.39 5.86 50.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.822 0.344 . . . . 74.329999999999998 111.16 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.49 28.09 64.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 72.340000000000003 112.507 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.22 -39.91 65.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 51.420000000000002 111.094 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 60.6 mt -120.85 153.53 57.19 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.584 0.707 . . . . 75.140000000000001 110.922 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 125.85 12.61 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.735 2.29 . . . . 72.450000000000003 112.295 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.536 ' HB1' ' HE1' ' A' ' 85' ' ' MET . . . -63.77 -28.95 70.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 35.219999999999999 111.103 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -56.16 6.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 64.019999999999996 110.888 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.62 -44.35 96.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 73.200000000000003 110.875 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.81 -52.01 45.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 63.32 111.129 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.536 ' HE1' ' HB1' ' A' ' 81' ' ' ALA . 7.6 mtm -75.79 -26.29 57.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 72.329999999999998 110.881 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.35 -33.32 71.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 44.200000000000003 111.083 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -85.92 28.0 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 63.450000000000003 110.935 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 t70 47.02 28.38 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 74.430000000000007 110.82 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -92.25 2.23 56.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 64.209999999999994 110.91 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.8 mtm -150.24 146.34 26.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 63.100000000000001 110.873 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -122.11 108.55 13.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 65.450000000000003 110.83 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.7 p -123.04 141.18 44.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 74.540000000000006 111.098 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -132.5 112.81 12.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 71.329999999999998 110.811 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.04 168.18 28.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.805 -0.712 . . . . 62.439999999999998 112.544 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -54.64 117.78 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 74.109999999999999 110.878 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 84.3 t -43.32 -48.47 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 73.329999999999998 111.146 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -51.0 69.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 74.25 110.912 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 40.1 mt -48.34 -54.16 14.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 75.129999999999995 110.928 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 36.2 pt -70.44 -22.91 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 70.209999999999994 111.047 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -78.23 -14.48 59.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 72.329999999999998 110.953 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.522 HD22 ' HG3' ' A' ' 25' ' ' GLN . 40.7 mt -75.05 -36.33 61.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 65.230000000000004 110.909 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.1 mp -86.55 -4.98 59.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 74.319999999999993 110.92 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.643 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 8.2 mt-10 -64.64 -52.52 51.09 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.65 0.738 . . . . 63.229999999999997 110.823 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.643 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.8 Cg_endo -69.78 -7.66 21.63 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.687 2.258 . . . . 73.129999999999995 112.331 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -97.72 -17.19 19.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 74.430000000000007 110.879 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' A' ' 103' ' ' GLU . 27.5 mt -50.98 -38.85 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 75.540000000000006 111.139 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.65 -39.59 93.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 64.219999999999999 111.08 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 64.310000000000002 110.897 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.738 0.304 . . . . 74.230000000000004 110.891 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.4 p -45.58 -29.5 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 54.530000000000001 110.861 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -54.08 -50.55 66.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.073 -0.512 . . . . 71.010000000000005 110.847 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -54.79 -40.34 69.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 65.439999999999998 110.852 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.565 HG21 ' C ' ' A' ' 71' ' ' MET . 48.1 t -56.71 -58.08 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 74.299999999999997 111.127 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -48.89 -42.41 36.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 72.030000000000001 110.875 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.9 -47.82 83.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 71.400000000000006 111.154 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 6.7 mmpt? -56.14 -49.94 72.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 75.319999999999993 110.854 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.437 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 57.7 mt -54.28 -47.53 68.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 74.530000000000001 111.128 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.428 ' HA ' ' HG ' ' A' ' 16' ' ' LEU . . . -66.41 -53.57 34.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 65.530000000000001 111.04 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -54.32 -26.18 28.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.279 -0.419 . . . . 74.230000000000004 110.88 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -32.88 59.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 74.549999999999997 110.92 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.476 ' HB3' HD12 ' A' ' 19' ' ' ILE . 8.3 mt -64.67 -28.72 69.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 71.150000000000006 110.909 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -55.46 -23.01 23.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 73.030000000000001 110.893 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.4 -28.56 52.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 62.030000000000001 110.912 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.476 HD12 ' HB3' ' A' ' 16' ' ' LEU . 40.6 mt -50.64 104.82 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 72.510000000000005 111.115 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.63 151.54 40.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.529 0.681 . . . . 72.219999999999999 110.949 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -29.16 23.95 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.709 2.273 . . . . 73.519999999999996 112.279 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.84 -4.03 35.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 74.400000000000006 111.049 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -164.19 104.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.324 -0.398 . . . . 71.219999999999999 110.916 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.5 mmm-85 -111.03 -169.54 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 73.040000000000006 110.904 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.77 ' O ' HG12 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -163.93 83.47 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 73.400000000000006 110.891 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.77 HG12 ' O ' ' A' ' 25' ' ' GLN . 1.0 OUTLIER 52.25 137.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 62.439999999999998 111.172 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.68 127.04 14.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 64.430000000000007 110.933 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.608 ' O ' HD13 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -161.21 176.81 10.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 70.019999999999996 110.867 -179.895 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.4 t -86.86 124.15 40.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 54.229999999999997 111.167 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.432 ' CD2' HD11 ' A' ' 48' ' ' LEU . 12.4 m-85 -109.79 171.11 7.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 71.040000000000006 110.883 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.611 ' HB2' ' HB3' ' A' ' 60' ' ' ALA . 0.2 OUTLIER -131.45 133.3 45.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.115 -0.493 . . . . 74.420000000000002 110.892 179.902 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.4 116.08 17.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 73.129999999999995 110.877 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.513 ' CB ' HG23 ' A' ' 65' ' ' THR . 1.1 mtt180 -104.73 136.09 44.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 75.140000000000001 110.902 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.597 ' O ' HG22 ' A' ' 41' ' ' VAL . 20.6 mm -111.43 90.38 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 73.200000000000003 111.124 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.689 HG22 ' HA ' ' A' ' 40' ' ' VAL . 30.1 p . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 73.349999999999994 111.108 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.689 ' HA ' HG22 ' A' ' 35' ' ' THR . 9.5 p . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.798 0.332 . . . . 63.310000000000002 111.186 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 34' ' ' ILE . 20.6 m -125.19 -20.13 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 44.340000000000003 111.176 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.99 156.56 22.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 64.319999999999993 110.87 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -108.0 157.74 17.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 72.109999999999999 110.862 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.461 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -144.62 142.13 29.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 73.329999999999998 110.984 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 56' ' ' SER . 30.0 t -129.66 141.57 46.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 60.539999999999999 111.111 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.408 ' SD ' HD21 ' A' ' 53' ' ' LEU . 1.7 tpp -101.82 109.71 21.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 72.040000000000006 110.893 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.17 86.89 7.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 72.400000000000006 110.904 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.608 HD13 ' O ' ' A' ' 28' ' ' HIS . 2.7 mp -76.47 -9.35 58.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 74.540000000000006 110.889 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -83.15 -54.03 5.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 64.209999999999994 110.9 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.43 -5.79 59.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 41.399999999999999 110.857 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.1 t 67.46 44.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 71.439999999999998 111.177 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -148.67 166.94 26.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 73.310000000000002 110.886 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.408 HD21 ' SD ' ' A' ' 46' ' ' MET . 4.2 mp -116.9 139.05 51.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 71.219999999999999 110.94 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.2 m -137.06 163.3 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 72.400000000000006 111.102 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.461 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 0.6 OUTLIER -98.12 106.89 19.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 73.519999999999996 110.928 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.809 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -166.97 166.3 15.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 73.409999999999997 110.873 -179.779 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.23 118.34 23.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 71.219999999999999 110.817 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.504 ' OD2' HG21 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -147.73 163.21 37.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 62.329999999999998 110.893 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.67 92.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 64.140000000000001 111.097 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.611 ' HB3' ' HB2' ' A' ' 31' ' ' LYS . . . -94.33 155.96 16.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 60.25 111.149 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -63.88 -17.06 62.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 63.549999999999997 110.927 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.558 ' HB2' HD13 ' A' ' 98' ' ' LEU . . . -146.51 124.53 12.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 60.229999999999997 111.129 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.463 HG23 ' HE2' ' A' ' 31' ' ' LYS . 44.6 m -100.23 128.17 46.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 73.239999999999995 111.14 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.666 ' HA ' HG12 ' A' ' 92' ' ' VAL . 0.8 OUTLIER -125.44 104.88 8.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 42.200000000000003 110.841 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.513 HG23 ' CB ' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -98.42 131.28 44.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 74.439999999999998 111.195 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.715 ' HG2' HG21 ' A' ' 70' ' ' ILE . 6.3 mtt -158.01 159.53 36.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 74.319999999999993 110.833 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.409 ' O ' ' HB ' ' A' ' 70' ' ' ILE . 50.0 mt-10 -92.19 158.43 16.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 74.439999999999998 110.91 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.07 -56.32 15.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 75.340000000000003 110.848 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.9 -36.83 63.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 74.019999999999996 110.864 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.715 HG21 ' HG2' ' A' ' 66' ' ' MET . 13.4 mm -61.78 -43.32 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 73.310000000000002 111.146 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.565 ' C ' HG21 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -50.94 -39.24 54.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 75.0 110.819 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -70.06 -31.52 69.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 63.32 110.828 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.36 -59.33 2.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 72.109999999999999 111.084 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 81.5 mt -70.31 -46.15 72.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.271 -0.422 . . . . 62.020000000000003 111.097 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.53 -37.22 32.71 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 54.009999999999998 112.508 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 59.9 p -90.36 -13.05 35.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.828 0.347 . . . . 74.329999999999998 111.099 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.86 27.24 54.15 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.673 -0.775 . . . . 72.340000000000003 112.516 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.67 -40.08 66.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.783 0.325 . . . . 51.420000000000002 111.086 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.8 mt -120.69 151.76 54.79 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.592 0.71 . . . . 75.140000000000001 110.904 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 129.28 17.37 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.631 2.221 . . . . 72.450000000000003 112.358 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.4 ' HB1' ' HE3' ' A' ' 85' ' ' MET . . . -65.61 -28.52 69.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 35.219999999999999 111.104 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.18 -56.87 5.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 64.019999999999996 110.887 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.54 -44.23 96.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 73.200000000000003 110.9 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.03 -51.04 57.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 63.32 111.099 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.4 ' HE3' ' HB1' ' A' ' 81' ' ' ALA . 3.1 mtt -76.22 -26.49 56.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 72.329999999999998 110.872 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.08 -32.84 71.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 44.200000000000003 111.145 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -89.9 28.3 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 63.450000000000003 110.902 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.1 t0 47.44 27.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.430000000000007 110.886 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.07 3.03 44.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 64.209999999999994 110.88 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.06 149.16 25.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 63.100000000000001 110.917 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -119.01 108.51 14.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 65.450000000000003 110.862 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.666 HG12 ' HA ' ' A' ' 64' ' ' LEU . 3.1 m -127.37 139.63 51.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 74.540000000000006 111.114 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -131.02 112.99 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 71.329999999999998 110.869 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.61 167.74 27.73 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.692 -0.766 . . . . 62.439999999999998 112.48 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -54.7 119.25 5.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.869 0.366 . . . . 74.109999999999999 110.882 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.0 t -42.47 -38.77 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 73.329999999999998 111.088 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -63.26 -49.96 72.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 74.25 110.92 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.558 HD13 ' HB2' ' A' ' 62' ' ' ALA . 80.5 mt -48.3 -55.05 11.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.102 -0.499 . . . . 75.129999999999995 110.889 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.495 HG22 HD21 ' A' ' 64' ' ' LEU . 2.9 pp -71.04 -20.05 21.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 70.209999999999994 111.127 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.43 ' N ' HD12 ' A' ' 99' ' ' ILE . 89.7 t80 -83.52 -13.46 54.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 72.329999999999998 110.864 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.496 ' HG ' HG11 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -75.26 -37.31 61.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 65.230000000000004 110.907 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.4 mp -86.95 -3.4 59.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 74.319999999999993 110.968 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.641 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 7.7 mt-10 -63.73 -52.31 59.11 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.583 0.706 . . . . 63.229999999999997 110.869 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.641 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.0 Cg_endo -69.82 -6.63 19.08 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.654 2.236 . . . . 73.129999999999995 112.314 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -93.67 -17.23 23.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 74.430000000000007 110.829 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 103' ' ' GLU . 8.7 mt -56.02 -41.47 68.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 75.540000000000006 111.175 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.0 99.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 64.219999999999999 111.127 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.451 . . . . 64.310000000000002 110.838 -179.757 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.807 0.337 . . . . 74.230000000000004 110.97 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 p -45.04 -30.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 54.530000000000001 110.852 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -54.03 -50.95 65.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 71.010000000000005 110.904 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.57 -37.21 48.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 65.439999999999998 110.936 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.401 HG11 ' HG3' ' A' ' 71' ' ' MET . 91.6 t -61.99 -54.34 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 74.299999999999997 111.103 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -48.08 -44.91 32.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 72.030000000000001 110.893 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.66 -46.07 87.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 71.400000000000006 111.12 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -53.83 40.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 75.319999999999993 110.924 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.6 mt -55.5 -48.21 77.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 74.530000000000001 111.165 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.824 ' HA ' HD23 ' A' ' 16' ' ' LEU . . . -60.9 -55.21 35.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 65.530000000000001 111.156 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -55.72 -30.08 60.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 74.230000000000004 110.869 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.24 -36.56 54.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 74.549999999999997 110.861 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.824 HD23 ' HA ' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -71.64 -19.13 62.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 71.150000000000006 110.9 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 13' ' ' ALA . 35.3 mt-10 -87.03 -9.76 54.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 73.030000000000001 110.899 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.2 t -74.08 -42.98 59.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 62.030000000000001 110.819 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.67 HG22 ' HD2' ' A' ' 24' ' ' ARG . 2.0 mp -47.75 104.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 72.510000000000005 111.163 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.21 144.64 91.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 72.219999999999999 110.873 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 -11.87 31.78 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.776 2.317 . . . . 73.519999999999996 112.354 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.25 -4.83 52.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 74.400000000000006 111.132 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -173.09 104.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 71.219999999999999 110.916 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.67 ' HD2' HG22 ' A' ' 19' ' ' ILE . 39.0 mmm-85 -108.65 178.53 4.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 73.040000000000006 110.894 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -108.3 -83.06 0.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 73.400000000000006 110.973 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.1 p -131.45 118.9 41.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 62.439999999999998 111.14 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -102.86 125.93 49.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.217 -0.447 . . . . 64.430000000000007 110.893 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.73 179.19 3.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 70.019999999999996 110.856 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.577 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 71.0 t -101.31 121.74 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 54.229999999999997 111.084 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -107.29 161.58 14.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 71.040000000000006 110.891 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.496 ' HD2' HG23 ' A' ' 63' ' ' THR . 1.9 ttmt -126.78 138.46 53.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 74.420000000000002 110.887 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.793 ' CE2' HD13 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -136.51 120.78 17.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 73.129999999999995 110.841 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.575 ' C ' HD13 ' A' ' 34' ' ' ILE . 4.7 mtt180 -118.49 140.12 50.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 75.140000000000001 110.923 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.575 HD13 ' C ' ' A' ' 33' ' ' ARG . 7.8 mm -114.29 90.51 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 73.200000000000003 111.179 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.734 HG22 ' CA ' ' A' ' 40' ' ' VAL . 66.9 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 73.349999999999994 111.121 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.734 ' CA ' HG22 ' A' ' 35' ' ' THR . 11.9 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.894 0.378 . . . . 63.310000000000002 111.104 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 34' ' ' ILE . 5.2 m -125.58 -5.19 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 44.340000000000003 111.152 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.65 165.11 16.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 64.319999999999993 110.899 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -126.43 149.84 49.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 72.109999999999999 110.898 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.511 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -137.74 146.47 43.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.168 -0.469 . . . . 73.329999999999998 110.961 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 56' ' ' SER . 23.2 t -137.87 135.05 45.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 60.539999999999999 111.121 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.633 ' HG3' HD21 ' A' ' 53' ' ' LEU . 1.8 ttm -100.48 113.85 26.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 72.040000000000006 110.911 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.36 85.02 5.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 72.400000000000006 110.863 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 48' ' ' LEU . 11.7 mt -80.31 -9.38 59.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 74.540000000000006 110.901 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.51 -47.32 17.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 64.209999999999994 110.841 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.7 -3.12 46.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 41.399999999999999 110.858 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.651 ' C ' HD11 ' A' ' 16' ' ' LEU . 3.3 t 69.11 48.71 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 71.439999999999998 111.133 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -148.79 164.63 33.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 73.310000000000002 110.907 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.672 HD12 HD23 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -119.97 139.82 51.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 71.219999999999999 110.953 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.3 m -140.51 166.77 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.454 . . . . 72.400000000000006 111.153 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.511 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.8 pm0 -105.5 108.17 19.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 73.519999999999996 110.857 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.879 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -168.83 169.54 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 73.409999999999997 110.854 -179.825 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.67 115.19 17.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 71.219999999999999 110.838 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -156.74 171.95 19.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 62.329999999999998 110.87 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.3 150.3 1.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 64.140000000000001 111.083 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.577 ' HB1' ' O ' ' A' ' 29' ' ' VAL . . . -170.89 145.12 2.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 60.25 111.113 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -64.35 -14.78 58.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 63.549999999999997 110.835 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -143.27 150.98 40.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 60.229999999999997 111.095 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.496 HG23 ' HD2' ' A' ' 31' ' ' LYS . 87.8 m -140.81 136.42 32.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 73.239999999999995 111.133 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.793 HD13 ' CE2' ' A' ' 32' ' ' PHE . 1.9 mp -129.1 104.56 7.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 42.200000000000003 110.92 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.421 ' C ' ' HG3' ' A' ' 66' ' ' MET . 38.3 m -112.17 139.88 47.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 74.439999999999998 111.136 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.421 ' HG3' ' C ' ' A' ' 65' ' ' THR . 0.0 OUTLIER 177.35 -174.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 74.319999999999993 110.894 179.817 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -80.21 160.04 25.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 74.439999999999998 110.891 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.46 ' OD2' HG21 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -63.46 -44.83 93.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 75.340000000000003 110.951 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -49.84 -24.23 2.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 74.019999999999996 110.832 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 19.9 mm -70.36 -23.64 24.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.186 -0.461 . . . . 73.310000000000002 111.112 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.401 ' HG3' HG11 ' A' ' 8' ' ' VAL . 28.2 tpp -61.83 -50.74 71.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 75.0 110.927 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.486 ' C ' ' CD1' ' A' ' 72' ' ' PHE . 4.2 p90 -74.4 -28.0 60.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 63.32 110.88 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.66 -59.29 3.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 72.109999999999999 111.123 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.703 HD11 ' HE1' ' A' ' 90' ' ' MET . 62.9 mt -79.16 -39.95 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 62.020000000000003 111.17 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.25 -40.97 38.45 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 54.009999999999998 112.465 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 72.4 p -86.28 -11.71 51.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.75 0.31 . . . . 74.329999999999998 111.107 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.49 23.59 67.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.764 -0.731 . . . . 72.340000000000003 112.476 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.84 -44.2 73.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 51.420000000000002 111.089 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.1 mt -118.14 149.87 46.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.683 0.754 . . . . 75.140000000000001 110.842 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 131.08 20.46 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.634 2.222 . . . . 72.450000000000003 112.336 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.759 ' HB1' ' HE1' ' A' ' 85' ' ' MET . . . -65.41 -28.24 69.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.419 . . . . 35.219999999999999 111.045 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -71.41 -56.98 4.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 64.019999999999996 110.912 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -63.06 -46.93 85.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.309 -0.405 . . . . 73.200000000000003 110.887 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.01 -52.53 41.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 63.32 111.058 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.759 ' HE1' ' HB1' ' A' ' 81' ' ' ALA . 9.9 mtm -72.57 -26.66 61.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.424 . . . . 72.329999999999998 110.866 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.13 -23.2 63.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 44.200000000000003 111.078 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -85.83 28.99 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 63.450000000000003 110.928 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 49.02 26.86 1.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 74.430000000000007 110.909 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.08 -59.41 2.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 64.209999999999994 110.889 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.703 ' HE1' HD11 ' A' ' 74' ' ' ILE . 0.7 OUTLIER -99.83 152.75 19.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 63.100000000000001 110.844 179.892 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -124.91 109.55 13.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 65.450000000000003 110.883 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.6 p -118.6 142.4 33.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 74.540000000000006 111.111 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -133.44 112.6 11.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 71.329999999999998 110.849 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.06 167.85 27.33 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.695 -0.764 . . . . 62.439999999999998 112.445 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.54 116.55 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 74.109999999999999 110.925 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.5 t -42.09 -39.35 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 73.329999999999998 111.187 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.34 -47.97 74.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.25 110.881 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 55.0 mt -48.62 -54.52 14.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 75.129999999999995 110.945 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.539 HD12 ' N ' ' A' ' 100' ' ' PHE . 2.8 pp -72.38 -28.79 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 70.209999999999994 111.086 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.539 ' N ' HD12 ' A' ' 99' ' ' ILE . 93.9 t80 -70.52 -13.0 61.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 72.329999999999998 110.91 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.37 -35.5 58.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 65.230000000000004 110.895 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.3 mp -87.25 -6.67 58.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 74.319999999999993 110.883 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.618 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 8.3 mt-10 -63.12 -53.82 51.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.622 0.725 . . . . 63.229999999999997 110.87 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.618 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.9 Cg_endo -69.76 -6.95 19.82 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.648 2.232 . . . . 73.129999999999995 112.376 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -96.68 -17.79 20.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 74.430000000000007 110.896 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.611 HD12 ' HA ' ' A' ' 103' ' ' GLU . 20.4 mt -57.77 -40.91 78.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 75.540000000000006 111.108 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.17 -37.9 84.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 64.219999999999999 111.07 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 64.310000000000002 110.862 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.773 0.321 . . . . 74.230000000000004 110.895 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 p -45.02 -30.35 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 54.530000000000001 110.85 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.08 -50.62 66.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 71.010000000000005 110.866 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.21 -39.31 63.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 65.439999999999998 110.845 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.596 HG21 ' C ' ' A' ' 71' ' ' MET . 73.8 t -58.92 -58.67 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.299999999999997 111.121 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -48.83 -45.12 40.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 72.030000000000001 110.873 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.39 -43.59 98.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 71.400000000000006 111.114 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -58.49 -50.53 73.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 75.319999999999993 110.941 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.3 mt -55.84 -56.68 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.530000000000001 111.091 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.91 -52.71 48.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 65.530000000000001 111.129 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -54.76 -26.71 36.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 74.230000000000004 110.883 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.26 -33.48 59.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 74.549999999999997 110.93 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.643 ' HB3' HD12 ' A' ' 19' ' ' ILE . 11.0 mt -67.03 -21.84 65.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 71.150000000000006 110.928 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -53.96 -25.31 20.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 73.030000000000001 110.936 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.06 -23.85 41.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 62.030000000000001 110.845 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.823 HG23 ' CZ ' ' A' ' 24' ' ' ARG . 88.6 mt -49.61 104.4 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 72.510000000000005 111.108 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.01 143.25 27.59 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.561 0.696 . . . . 72.219999999999999 110.858 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -14.9 36.59 Favored 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.728 2.285 . . . . 73.519999999999996 112.368 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.39 -7.08 51.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 74.400000000000006 111.13 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -173.44 103.98 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 71.219999999999999 110.88 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.823 ' CZ ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -122.73 175.42 6.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 73.040000000000006 110.848 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.477 ' HG2' HD22 ' A' ' 101' ' ' LEU . 1.0 OUTLIER -124.48 -66.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 73.400000000000006 110.893 -179.91 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 83.9 t -143.99 112.49 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 62.439999999999998 111.159 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -109.45 125.65 52.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 64.430000000000007 110.883 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.638 ' O ' HD13 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -170.11 178.94 3.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 70.019999999999996 110.908 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.6 t -91.75 127.61 43.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 54.229999999999997 111.072 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.415 ' OH ' HD22 ' A' ' 98' ' ' LEU . 6.6 m-85 -111.14 170.9 7.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.478 . . . . 71.040000000000006 110.928 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.576 ' HB2' ' HB3' ' A' ' 60' ' ' ALA . 7.4 ttpt -134.86 132.28 38.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 74.420000000000002 110.895 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.453 ' O ' ' N ' ' A' ' 44' ' ' TRP . 0.1 OUTLIER -128.88 114.49 16.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 73.129999999999995 110.892 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.639 ' HB3' HG23 ' A' ' 65' ' ' THR . 1.5 mtt180 -97.98 136.68 37.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 75.140000000000001 110.838 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.9 mm -115.47 106.73 21.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 73.200000000000003 111.141 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.641 HG22 ' HA ' ' A' ' 40' ' ' VAL . 6.0 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 73.349999999999994 111.131 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.641 ' HA ' HG22 ' A' ' 35' ' ' THR . 7.6 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.842 0.354 . . . . 63.310000000000002 111.133 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.3 p -94.45 -31.94 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 44.340000000000003 111.103 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.41 151.12 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 64.319999999999993 110.921 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -95.08 158.98 15.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 72.109999999999999 110.875 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' PHE . 0.6 OUTLIER -138.15 149.86 46.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 73.329999999999998 110.923 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 56' ' ' SER . 27.9 t -130.36 141.2 46.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.413 . . . . 60.539999999999999 111.147 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.404 ' HB3' ' HB2' ' A' ' 30' ' ' TYR . 0.8 OUTLIER -104.93 103.73 13.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 72.040000000000006 110.881 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -83.04 89.54 6.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 72.400000000000006 110.825 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.638 HD13 ' O ' ' A' ' 28' ' ' HIS . 6.9 mp -77.33 -7.5 56.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 74.540000000000006 110.907 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -84.11 -55.75 4.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 64.209999999999994 110.886 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -84.71 -9.5 58.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 41.399999999999999 110.872 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.2 t 67.62 44.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 71.439999999999998 111.122 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -148.52 133.34 17.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 73.310000000000002 110.906 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.588 ' CD1' HD11 ' A' ' 16' ' ' LEU . 4.4 mp -84.57 137.17 33.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 71.219999999999999 110.949 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.9 m -138.13 163.83 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 72.400000000000006 111.104 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.434 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.7 pm0 -101.58 108.9 20.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 73.519999999999996 110.909 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.827 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -166.83 166.26 15.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 73.409999999999997 110.789 -179.76 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.89 117.7 23.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 71.219999999999999 110.899 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.39 164.22 36.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 62.329999999999998 110.892 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.54 91.5 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 64.140000000000001 111.128 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.576 ' HB3' ' HB2' ' A' ' 31' ' ' LYS . . . -94.39 151.3 19.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 60.25 111.133 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.15 -18.38 64.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 63.549999999999997 110.912 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.93 124.34 13.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.153 -0.476 . . . . 60.229999999999997 111.165 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.543 HG23 ' HE2' ' A' ' 31' ' ' LYS . 31.9 m -103.34 128.18 50.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 73.239999999999995 111.129 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.666 HD21 HG22 ' A' ' 99' ' ' ILE . 1.2 mp -124.51 104.81 8.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 42.200000000000003 110.945 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.639 HG23 ' HB3' ' A' ' 33' ' ' ARG . 1.3 m -96.64 130.22 43.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 74.439999999999998 111.087 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 31.3 mtt -157.88 158.4 35.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.319999999999993 110.869 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -93.21 161.85 14.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 74.439999999999998 110.84 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.5 -58.82 4.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 75.340000000000003 110.899 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.11 -42.58 60.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.217 -0.447 . . . . 74.019999999999996 110.863 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 70' ' ' ILE . 18.6 mm -58.01 -39.57 72.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 73.310000000000002 111.115 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.596 ' C ' HG21 ' A' ' 8' ' ' VAL . 10.8 mmt -58.95 -44.23 91.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 75.0 110.807 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -73.06 -30.47 63.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 63.32 110.83 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.19 -59.5 2.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 72.109999999999999 111.098 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.8 mt -71.49 -43.77 71.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 62.020000000000003 111.165 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -51.42 -35.3 35.77 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 54.009999999999998 112.501 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 81.3 p -89.3 -15.09 34.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.822 0.344 . . . . 74.329999999999998 111.084 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.34 25.51 56.94 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 72.340000000000003 112.525 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.34 -41.09 49.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 51.420000000000002 111.136 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.3 mt -118.85 152.79 52.08 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.637 0.732 . . . . 75.140000000000001 110.863 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 123.41 10.09 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.675 2.25 . . . . 72.450000000000003 112.329 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.527 ' HB1' ' HE1' ' A' ' 85' ' ' MET . . . -63.32 -31.56 72.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 35.219999999999999 111.16 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp -67.86 -54.53 18.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 64.019999999999996 110.901 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -59.11 -44.49 91.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 73.200000000000003 110.861 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.9 -50.47 57.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 63.32 111.06 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.527 ' HE1' ' HB1' ' A' ' 81' ' ' ALA . 5.9 mtt -76.79 -26.6 54.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 72.329999999999998 110.946 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.46 -31.43 70.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 44.200000000000003 111.095 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -89.01 28.34 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 63.450000000000003 110.92 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 48.06 27.65 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 74.430000000000007 110.866 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -87.49 2.24 51.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 64.209999999999994 110.862 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -159.29 153.07 23.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 63.100000000000001 110.914 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -122.55 108.45 13.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 65.450000000000003 110.876 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 70.3 t -119.8 140.12 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 74.540000000000006 111.117 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -133.15 113.22 12.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 71.329999999999998 110.846 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.68 167.84 27.96 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 62.439999999999998 112.534 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.473 ' HB2' HD12 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -54.47 115.27 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 74.109999999999999 110.917 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.6 t -43.03 -43.72 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 73.329999999999998 111.14 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -49.48 76.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 74.25 110.896 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.788 ' HA ' HD12 ' A' ' 101' ' ' LEU . 77.8 mt -48.4 -54.12 15.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 75.129999999999995 110.888 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.666 HG22 HD21 ' A' ' 64' ' ' LEU . 41.1 pt -69.95 -23.12 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 70.209999999999994 111.195 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -79.5 -15.78 57.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 72.329999999999998 110.868 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.788 HD12 ' HA ' ' A' ' 98' ' ' LEU . 8.6 mt -76.19 -38.68 56.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 65.230000000000004 110.88 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.5 mp -84.04 -7.08 59.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 74.319999999999993 110.935 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.626 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 8.5 mt-10 -62.47 -53.28 58.97 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.66 0.743 . . . . 63.229999999999997 110.857 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.4 Cg_endo -69.69 -7.68 21.66 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.701 2.267 . . . . 73.129999999999995 112.293 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -98.85 -17.02 18.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.286 -0.416 . . . . 74.430000000000007 110.923 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 49.0 mt -49.31 -41.82 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 75.540000000000006 111.094 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.6 -40.68 84.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 64.219999999999999 111.115 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 64.310000000000002 110.851 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.847 0.356 . . . . 74.230000000000004 110.902 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.421 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -44.73 -32.05 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 54.530000000000001 110.817 -179.876 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -54.27 -49.6 69.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 71.010000000000005 110.924 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -52.03 -37.3 53.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 65.439999999999998 110.875 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.714 HG11 ' HG3' ' A' ' 71' ' ' MET . 95.7 t -52.41 -60.11 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 74.299999999999997 111.172 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -49.64 -44.26 47.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 72.030000000000001 110.903 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.31 -42.0 98.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 71.400000000000006 111.11 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -60.24 -53.71 54.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 75.319999999999993 110.907 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.7 mt -54.45 -54.99 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 74.530000000000001 111.182 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.72 -52.26 63.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 65.530000000000001 111.066 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -54.12 -30.23 48.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 74.230000000000004 110.899 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.28 -33.89 65.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 74.549999999999997 110.931 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.573 ' HB3' HD12 ' A' ' 19' ' ' ILE . 10.4 mt -67.47 -20.79 65.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 71.150000000000006 110.863 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -56.88 -24.03 48.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 73.030000000000001 110.868 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 m -81.16 -18.26 46.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 62.030000000000001 110.877 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.777 HG23 ' CZ ' ' A' ' 24' ' ' ARG . 89.5 mt -50.31 104.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 72.510000000000005 111.15 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.09 143.93 29.75 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.61 0.719 . . . . 72.219999999999999 110.861 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -14.39 36.16 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.75 2.3 . . . . 73.519999999999996 112.311 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.77 -7.29 52.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 74.400000000000006 111.101 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -174.52 104.41 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 71.219999999999999 110.83 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.777 ' CZ ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -124.57 177.12 6.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 73.040000000000006 110.777 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.42 ' OE1' HD22 ' A' ' 101' ' ' LEU . 43.1 mt-30 -119.28 -40.85 2.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 73.400000000000006 110.923 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 p -176.85 131.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 62.439999999999998 111.118 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -110.36 125.16 52.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 64.430000000000007 110.838 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -170.68 179.09 3.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 70.019999999999996 110.801 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.3 t -100.84 133.38 44.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.222 -0.445 . . . . 54.229999999999997 111.138 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.56 ' OH ' HD22 ' A' ' 98' ' ' LEU . 12.1 m-85 -121.36 160.51 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 71.040000000000006 110.923 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -127.28 135.36 50.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 74.420000000000002 110.966 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.85 122.49 36.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 73.129999999999995 110.83 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.693 ' HB2' HG23 ' A' ' 65' ' ' THR . 43.0 mtp180 -107.14 130.7 54.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 75.140000000000001 110.915 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.41 HG13 ' HE1' ' A' ' 71' ' ' MET . 24.5 mm -111.01 90.41 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 73.200000000000003 111.09 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.805 HG23 ' HA ' ' A' ' 40' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 73.349999999999994 111.158 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.805 ' HA ' HG23 ' A' ' 35' ' ' THR . 7.4 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.848 0.356 . . . . 63.310000000000002 111.203 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 m -125.62 -33.24 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 44.340000000000003 111.053 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.56 158.54 37.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 64.319999999999993 110.859 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.86 151.03 39.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 72.109999999999999 110.886 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.423 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -135.56 149.02 49.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 73.329999999999998 110.907 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.62 HG23 ' CG2' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -123.5 143.44 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 60.539999999999999 111.133 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.24 100.35 11.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 72.040000000000006 110.862 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.46 80.86 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 72.400000000000006 110.905 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.425 HD13 ' HD1' ' A' ' 30' ' ' TYR . 5.0 mp -72.63 -11.67 60.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 74.540000000000006 110.945 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.8 -52.82 6.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 64.209999999999994 110.962 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -84.5 -6.4 59.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 41.399999999999999 110.837 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.42 HG12 ' HB2' ' A' ' 16' ' ' LEU . 3.4 t 68.99 46.23 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 71.439999999999998 111.136 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.86 166.88 27.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 73.310000000000002 110.854 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.9 mp -124.23 104.89 9.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 71.219999999999999 110.947 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.62 ' CG2' HG23 ' A' ' 45' ' ' VAL . 3.0 m -103.45 174.57 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 72.400000000000006 111.136 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.423 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.4 pm0 -106.97 110.75 22.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 73.519999999999996 110.916 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.421 ' N ' HG22 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -169.04 165.69 11.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 73.409999999999997 110.805 -179.706 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.66 115.67 22.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.499 . . . . 71.219999999999999 110.887 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -155.53 168.06 28.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 62.329999999999998 110.898 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.43 159.23 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 64.140000000000001 111.087 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -169.01 142.37 2.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 60.25 111.126 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.56 -23.54 67.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 63.549999999999997 110.924 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -140.05 124.15 17.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 60.229999999999997 111.048 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 83.2 m -103.57 128.48 50.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 73.239999999999995 111.101 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.449 HD11 HG22 ' A' ' 99' ' ' ILE . 0.5 OUTLIER -125.31 119.0 27.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 42.200000000000003 110.879 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.693 HG23 ' HB2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -114.51 130.76 56.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 74.439999999999998 111.136 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.624 ' HG2' HG21 ' A' ' 70' ' ' ILE . 4.1 mtm -154.02 140.7 18.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 74.319999999999993 110.884 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -74.02 154.05 39.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 74.439999999999998 110.9 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.95 -53.65 18.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 75.340000000000003 110.904 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.4 ' O ' ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -50.65 -30.04 12.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 74.019999999999996 110.894 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.624 HG21 ' HG2' ' A' ' 66' ' ' MET . 19.1 mm -83.42 -23.13 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 73.310000000000002 111.141 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.714 ' HG3' HG11 ' A' ' 8' ' ' VAL . 2.6 ttp -60.05 -51.27 70.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 75.0 110.955 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.484 ' C ' ' CD1' ' A' ' 72' ' ' PHE . 3.3 p90 -72.17 -28.68 63.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 63.32 110.933 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.96 -59.72 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 72.109999999999999 111.105 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 57.9 mt -72.18 -40.61 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 62.020000000000003 111.17 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.55 -39.28 53.18 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.757 -0.735 . . . . 54.009999999999998 112.398 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 71.3 p -94.42 7.53 45.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 74.329999999999998 111.206 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 58.48 29.66 63.93 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.747 -0.74 . . . . 72.340000000000003 112.522 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.19 -40.31 68.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.768 0.318 . . . . 51.420000000000002 111.064 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 25.6 mt -118.62 155.57 52.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.51 0.671 . . . . 75.140000000000001 110.969 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 123.11 9.77 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.685 2.257 . . . . 72.450000000000003 112.31 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.419 ' HB1' ' HE1' ' A' ' 85' ' ' MET . . . -62.14 -32.05 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 35.219999999999999 111.102 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -69.31 -57.2 5.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 64.019999999999996 110.913 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.55 -43.58 84.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 73.200000000000003 110.921 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.475 ' HB1' ' SD ' ' A' ' 90' ' ' MET . . . -51.06 -51.12 56.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 63.32 111.094 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.419 ' HE1' ' HB1' ' A' ' 81' ' ' ALA . 5.5 mtt -75.85 -26.8 57.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 72.329999999999998 110.886 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.18 -32.07 70.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 44.200000000000003 111.119 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -90.09 27.67 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 63.450000000000003 110.853 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 46.48 29.83 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 74.430000000000007 110.861 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.83 10.07 36.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 64.209999999999994 110.944 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.475 ' SD ' ' HB1' ' A' ' 84' ' ' ALA . 1.6 mtm -154.39 144.6 22.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 63.100000000000001 110.868 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -119.97 108.7 14.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 65.450000000000003 110.887 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.8 p -128.58 141.13 47.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 74.540000000000006 111.171 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -131.59 113.48 13.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 71.329999999999998 110.836 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.9 167.92 28.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 62.439999999999998 112.488 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.511 ' HB2' HD12 ' A' ' 98' ' ' LEU . 2.1 tp60 -54.26 118.51 4.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.348 . . . . 74.109999999999999 110.957 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 99' ' ' ILE . 79.9 t -42.55 -42.61 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 73.329999999999998 111.155 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -62.98 -48.72 77.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 74.25 110.925 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.56 HD22 ' OH ' ' A' ' 30' ' ' TYR . 79.1 mt -48.7 -54.82 13.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 75.129999999999995 110.963 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.521 HD12 ' N ' ' A' ' 100' ' ' PHE . 2.8 pp -72.34 -27.11 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 70.209999999999994 111.191 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.521 ' N ' HD12 ' A' ' 99' ' ' ILE . 93.3 t80 -72.64 -15.11 61.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 72.329999999999998 110.862 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 98' ' ' LEU . 22.1 mt -75.72 -34.02 60.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 65.230000000000004 110.899 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.5 mp -84.64 -8.59 58.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 74.319999999999993 110.926 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.632 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 23.1 mt-10 -63.07 -53.11 57.73 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.677 0.751 . . . . 63.229999999999997 110.945 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.7 Cg_endo -69.74 -7.75 21.85 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 73.129999999999995 112.413 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -97.73 -17.23 19.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 74.430000000000007 110.874 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.498 HD12 ' HA ' ' A' ' 103' ' ' GLU . 24.2 mt -51.9 -45.58 39.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 75.540000000000006 111.13 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.74 -35.87 77.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 64.219999999999999 111.134 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 64.310000000000002 110.884 -179.837 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.816 0.341 . . . . 74.230000000000004 110.892 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.0 p -44.3 -31.25 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 54.530000000000001 110.881 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -54.08 -50.54 66.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.127 -0.488 . . . . 71.010000000000005 110.892 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.69 -39.2 61.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 65.439999999999998 110.941 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.609 HG21 ' C ' ' A' ' 71' ' ' MET . 67.9 t -56.94 -59.69 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 74.299999999999997 111.087 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -48.92 -45.4 41.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 72.030000000000001 110.874 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.13 -48.98 79.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 71.400000000000006 111.145 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.44 -50.57 64.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 75.319999999999993 110.929 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.454 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 12.6 mt -57.75 -56.36 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 74.530000000000001 111.132 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.46 -54.88 26.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 65.530000000000001 111.068 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -27.19 52.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 74.230000000000004 110.899 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.85 -35.95 57.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 74.549999999999997 110.852 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.481 HD22 HD11 ' A' ' 19' ' ' ILE . 61.3 mt -64.59 -22.62 67.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 71.150000000000006 110.905 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -54.22 -26.17 27.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 73.030000000000001 110.917 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.97 -21.15 57.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 62.030000000000001 110.92 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.81 HG23 ' CZ ' ' A' ' 24' ' ' ARG . 83.6 mt -48.58 104.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 72.510000000000005 111.186 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.66 144.14 30.0 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.551 0.691 . . . . 72.219999999999999 110.868 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.74 -11.11 30.19 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.686 2.258 . . . . 73.519999999999996 112.37 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.58 -12.61 60.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 74.400000000000006 111.058 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -172.08 117.09 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 71.219999999999999 110.902 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.81 ' CZ ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -130.01 -179.77 5.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 73.040000000000006 110.85 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -125.27 -40.28 2.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 73.400000000000006 110.959 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.521 ' O ' HG13 ' A' ' 26' ' ' VAL . 5.2 p -176.11 123.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 62.439999999999998 111.079 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -106.87 125.86 51.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.119 -0.491 . . . . 64.430000000000007 110.882 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.639 ' O ' HD13 ' A' ' 48' ' ' LEU . 21.2 p-80 -170.23 179.1 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 70.019999999999996 110.849 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.3 t -95.38 135.84 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 54.229999999999997 111.092 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.664 ' CD1' HD11 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -118.12 165.72 13.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 71.040000000000006 110.962 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.61 ' O ' HD12 ' A' ' 64' ' ' LEU . 1.8 ttmm -139.25 135.88 34.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 74.420000000000002 110.904 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.56 127.33 42.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 73.129999999999995 110.896 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.621 ' HB3' HG23 ' A' ' 65' ' ' THR . 8.6 mtt180 -106.55 139.27 41.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 75.140000000000001 110.863 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.531 HD13 ' O ' ' A' ' 33' ' ' ARG . 28.2 mm -121.13 130.16 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 73.200000000000003 111.135 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.57 HG22 ' HA ' ' A' ' 40' ' ' VAL . 6.6 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 73.349999999999994 111.09 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.57 ' HA ' HG22 ' A' ' 35' ' ' THR . 6.3 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.832 0.349 . . . . 63.310000000000002 111.157 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.0 p -87.8 -33.31 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 44.340000000000003 111.155 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.2 145.97 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 64.319999999999993 110.873 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.73 161.72 18.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 72.109999999999999 110.922 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.404 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -143.41 150.17 38.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 73.329999999999998 110.883 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.653 HG13 HG22 ' A' ' 54' ' ' VAL . 1.9 p -134.14 143.15 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 60.539999999999999 111.166 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -99.12 107.62 20.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 72.040000000000006 110.864 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -83.91 86.32 7.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 72.400000000000006 110.885 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.639 HD13 ' O ' ' A' ' 28' ' ' HIS . 5.8 mp -73.42 -7.31 51.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 74.540000000000006 111.0 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -84.08 -54.72 4.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 64.209999999999994 110.882 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.11 -9.11 58.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 41.399999999999999 110.941 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.473 HG13 ' HB3' ' A' ' 16' ' ' LEU . 5.9 t 67.13 43.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 71.439999999999998 111.187 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.2 tptm -149.85 134.83 17.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 73.310000000000002 110.88 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.1 mp -84.48 137.38 33.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 71.219999999999999 110.934 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.653 HG22 HG13 ' A' ' 45' ' ' VAL . 3.0 m -137.22 166.76 24.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.24 -0.437 . . . . 72.400000000000006 111.078 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.404 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -102.43 107.43 18.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 73.519999999999996 110.897 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.54 164.18 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 73.409999999999997 110.831 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.73 116.71 27.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 71.219999999999999 110.887 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.27 157.76 43.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 62.329999999999998 110.901 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.9 92.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 64.140000000000001 111.128 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.1 149.17 21.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 60.25 111.048 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.37 -23.24 67.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.476 . . . . 63.549999999999997 110.888 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.459 ' HB3' ' CE1' ' A' ' 30' ' ' TYR . . . -140.63 124.36 17.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 60.229999999999997 111.106 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 82.6 m -103.84 129.34 51.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 73.239999999999995 111.11 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.664 HD11 ' CD1' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -127.08 112.37 15.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 42.200000000000003 110.956 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.621 HG23 ' HB3' ' A' ' 33' ' ' ARG . 1.7 m -101.27 131.57 47.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 74.439999999999998 111.147 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.633 ' HG2' HG21 ' A' ' 70' ' ' ILE . 0.3 OUTLIER -157.99 156.81 31.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.299 -0.41 . . . . 74.319999999999993 110.885 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -89.01 162.82 15.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 74.439999999999998 110.91 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.37 -58.2 5.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 75.340000000000003 110.826 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.89 -43.36 59.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 74.019999999999996 110.868 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.633 HG21 ' HG2' ' A' ' 66' ' ' MET . 14.0 mm -55.22 -47.05 78.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 73.310000000000002 111.159 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.609 ' C ' HG21 ' A' ' 8' ' ' VAL . 0.6 OUTLIER -51.49 -43.46 62.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 75.0 110.891 179.845 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -70.18 -30.84 68.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 63.32 110.899 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.73 -59.93 2.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 72.109999999999999 111.017 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 52.0 mt -69.95 -44.2 78.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 62.020000000000003 111.1 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.29 -37.78 48.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 54.009999999999998 112.5 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 43.1 p -92.67 -2.14 56.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.838 0.352 . . . . 74.329999999999998 111.137 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.79 29.63 73.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.771 -0.728 . . . . 72.340000000000003 112.492 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.42 -41.34 27.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.888 0.375 . . . . 51.420000000000002 111.073 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.7 mt -117.12 152.56 49.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.621 0.725 . . . . 75.140000000000001 110.967 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 120.92 7.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.661 2.241 . . . . 72.450000000000003 112.318 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.461 ' HB1' ' HE3' ' A' ' 85' ' ' MET . . . -60.91 -37.92 83.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 35.219999999999999 111.074 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.12 -56.9 10.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 64.019999999999996 110.897 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -44.86 82.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 73.200000000000003 110.902 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.35 -50.23 51.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 63.32 111.095 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.461 ' HE3' ' HB1' ' A' ' 81' ' ' ALA . 7.2 mtt -77.12 -26.6 53.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 72.329999999999998 110.89 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.64 -32.54 70.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 44.200000000000003 111.078 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -86.72 27.99 0.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 63.450000000000003 110.942 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 46.17 28.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 74.430000000000007 110.893 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -90.39 5.57 46.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 64.209999999999994 110.844 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.427 ' HG2' ' HG3' ' A' ' 66' ' ' MET . 1.1 mpp? -160.29 153.92 22.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 63.100000000000001 110.829 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -122.68 108.49 13.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 65.450000000000003 110.863 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.0 p -119.38 140.51 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 74.540000000000006 111.142 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -131.38 114.24 14.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 71.329999999999998 110.9 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.67 167.61 28.59 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.732 -0.747 . . . . 62.439999999999998 112.516 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.463 ' HB3' HD23 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -54.76 117.92 3.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 74.109999999999999 110.884 -179.871 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 67.9 t -43.65 -51.0 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 73.329999999999998 111.195 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -58.27 -49.79 75.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 74.25 110.945 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.614 HD12 ' NE2' ' A' ' 28' ' ' HIS . 1.7 mm? -48.45 -54.06 15.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 75.129999999999995 110.902 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.641 HG22 HD21 ' A' ' 64' ' ' LEU . 21.6 pt -71.29 -20.87 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 70.209999999999994 111.165 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -79.78 -13.74 59.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 72.329999999999998 110.838 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -75.87 -32.56 59.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 65.230000000000004 110.874 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.0 mp -88.39 -5.74 58.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 74.319999999999993 110.905 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.629 ' HA ' HD12 ' A' ' 106' ' ' ILE . 15.9 mt-10 -67.27 -55.68 14.87 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.624 0.726 . . . . 63.229999999999997 110.939 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.576 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.1 Cg_endo -69.81 -6.26 18.19 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.622 2.215 . . . . 73.129999999999995 112.323 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -98.46 -18.06 18.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 74.430000000000007 110.859 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 103' ' ' GLU . 12.2 mt -53.09 -27.63 13.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 75.540000000000006 111.163 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.29 -43.49 94.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 64.219999999999999 111.113 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 64.310000000000002 110.874 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.769 0.319 . . . . 74.230000000000004 110.838 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.443 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 15.0 p -44.78 -27.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 54.530000000000001 110.824 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -53.67 -47.43 70.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 71.010000000000005 110.85 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -52.74 -38.42 60.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 65.439999999999998 110.901 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.736 HG11 ' HG3' ' A' ' 71' ' ' MET . 67.4 t -50.01 -61.73 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 74.299999999999997 111.091 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -50.82 -43.02 58.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 72.030000000000001 110.861 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.88 -44.54 96.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 71.400000000000006 111.16 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -56.83 -50.12 73.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 75.319999999999993 110.93 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.1 mt -57.54 -49.19 81.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 74.530000000000001 111.125 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.49 -53.91 52.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 65.530000000000001 111.108 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -52.58 -25.34 10.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 74.230000000000004 110.933 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -77.73 -30.77 51.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 74.549999999999997 110.845 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.798 ' HB3' HD12 ' A' ' 19' ' ' ILE . 5.8 mt -71.3 -18.85 62.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 71.150000000000006 110.948 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -57.32 -20.64 29.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 73.030000000000001 110.924 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 t -91.89 -19.54 22.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 62.030000000000001 110.91 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.798 HD12 ' HB3' ' A' ' 16' ' ' LEU . 74.4 mt -51.6 104.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 72.510000000000005 111.09 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.81 143.15 28.06 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.594 0.711 . . . . 72.219999999999999 110.881 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -16.31 37.55 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 73.519999999999996 112.296 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.98 -5.59 44.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.298 -0.41 . . . . 74.400000000000006 111.171 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -177.64 104.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 71.219999999999999 110.874 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.723 ' CZ ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -117.46 -177.37 3.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 73.040000000000006 110.952 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.99 -37.04 2.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 73.400000000000006 110.927 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.647 HG11 HD13 ' A' ' 101' ' ' LEU . 8.6 p -176.82 126.36 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 62.439999999999998 111.125 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -110.97 124.68 52.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 64.430000000000007 110.917 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -170.94 175.19 4.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 70.019999999999996 110.81 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.9 t -104.0 129.91 55.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 54.229999999999997 111.095 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -122.11 145.6 48.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 71.040000000000006 110.87 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.6 ' O ' HD12 ' A' ' 64' ' ' LEU . 18.8 ttpt -106.9 143.69 34.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 74.420000000000002 110.895 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.4 125.96 33.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 73.129999999999995 110.887 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.656 ' HB2' HG23 ' A' ' 65' ' ' THR . 0.3 OUTLIER -110.61 140.08 45.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 75.140000000000001 110.885 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.504 ' O ' HG22 ' A' ' 41' ' ' VAL . 31.5 mm -116.86 90.59 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 73.200000000000003 111.136 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.78 HG22 HG22 ' A' ' 40' ' ' VAL . 25.3 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 73.349999999999994 111.139 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.78 HG22 HG22 ' A' ' 35' ' ' THR . 64.1 t . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.873 0.368 . . . . 63.310000000000002 111.13 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 34' ' ' ILE . 20.1 m -124.93 -21.37 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 44.340000000000003 111.155 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.26 152.78 17.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 64.319999999999993 110.917 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -107.43 154.4 21.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 72.109999999999999 110.845 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.482 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -144.46 150.91 38.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 73.329999999999998 110.915 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.556 HG13 HG22 ' A' ' 54' ' ' VAL . 7.2 p -141.83 140.73 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 60.539999999999999 111.098 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.8 ttm -99.31 118.63 36.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 72.040000000000006 110.886 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -96.13 89.95 5.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 72.400000000000006 110.904 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.4 mt -75.84 -1.65 26.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 74.540000000000006 110.941 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.3 mtpt -84.93 -56.01 3.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 64.209999999999994 110.894 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -84.69 -8.03 59.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 41.399999999999999 110.903 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.2 t 69.06 43.53 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 71.439999999999998 111.134 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -149.6 144.72 26.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 73.310000000000002 110.891 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.5 mp -92.06 140.36 29.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 71.219999999999999 110.862 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.556 HG22 HG13 ' A' ' 45' ' ' VAL . 3.0 m -140.72 165.1 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 72.400000000000006 111.133 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.482 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 4.6 pm0 -102.14 104.21 14.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 73.519999999999996 110.878 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.68 162.41 14.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 73.409999999999997 110.826 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -122.11 117.4 26.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 71.219999999999999 110.851 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -143.53 159.63 42.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 62.329999999999998 110.867 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.52 91.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 64.140000000000001 111.07 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.08 149.98 21.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 60.25 111.1 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.97 -15.89 60.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 63.549999999999997 110.883 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.78 124.45 11.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 60.229999999999997 111.117 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.2 m -106.23 131.72 53.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 73.239999999999995 111.123 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.628 HD21 HG22 ' A' ' 99' ' ' ILE . 1.3 mp -129.21 118.24 22.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 42.200000000000003 110.908 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.656 HG23 ' HB2' ' A' ' 33' ' ' ARG . 3.5 m -107.58 134.85 49.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 74.439999999999998 111.152 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.525 ' HG2' HG21 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -160.07 158.12 29.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 74.319999999999993 110.889 179.905 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -93.05 161.68 14.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.415 . . . . 74.439999999999998 110.856 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.14 -59.01 4.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 75.340000000000003 110.921 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.91 -39.87 55.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 74.019999999999996 110.896 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.525 HG21 ' HG2' ' A' ' 66' ' ' MET . 14.7 mm -63.65 -42.28 95.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 73.310000000000002 111.091 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.736 ' HG3' HG11 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -51.38 -43.21 61.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 75.0 110.832 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.665 ' O ' HG22 ' A' ' 76' ' ' THR . 91.2 t80 -69.33 -30.73 68.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 63.32 110.878 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.44 -59.54 2.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 72.109999999999999 111.14 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.3 mt -71.85 -36.05 56.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 62.020000000000003 111.128 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -48.88 -41.71 28.62 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 54.009999999999998 112.457 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.665 HG22 ' O ' ' A' ' 72' ' ' PHE . 4.2 t -102.07 11.51 38.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.835 0.35 . . . . 74.329999999999998 111.139 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.01 30.11 66.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.76 -0.733 . . . . 72.340000000000003 112.448 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.59 -41.55 68.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.338 . . . . 51.420000000000002 111.045 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.6 mt -115.16 156.03 45.98 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.662 0.744 . . . . 75.140000000000001 110.908 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 109.25 2.27 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.683 2.256 . . . . 72.450000000000003 112.302 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.495 ' HB1' ' HE3' ' A' ' 85' ' ' MET . . . -55.73 -39.48 71.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 35.219999999999999 111.098 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -49.63 76.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 64.019999999999996 110.894 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.17 -45.71 90.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.46 . . . . 73.200000000000003 110.881 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.97 -51.15 55.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 63.32 111.159 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.495 ' HE3' ' HB1' ' A' ' 81' ' ' ALA . 8.5 mtt -75.76 -26.67 57.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 72.329999999999998 110.847 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.07 -30.69 71.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 44.200000000000003 111.068 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -87.94 28.53 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 63.450000000000003 110.881 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 48.53 26.59 1.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.415 . . . . 74.430000000000007 110.844 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -86.92 1.31 53.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 64.209999999999994 110.88 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.42 ' HG2' ' HG3' ' A' ' 66' ' ' MET . 1.2 mpp? -160.17 153.72 22.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 63.100000000000001 110.858 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -123.11 108.46 12.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 65.450000000000003 110.906 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.468 HG12 ' H ' ' A' ' 65' ' ' THR . 13.3 m -118.01 140.3 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 74.540000000000006 111.101 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -131.14 113.16 13.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 71.329999999999998 110.895 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.6 168.09 28.26 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.695 -0.764 . . . . 62.439999999999998 112.461 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.475 ' HB3' HD23 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -54.11 116.05 2.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 74.109999999999999 110.949 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 97.4 t -43.05 -42.54 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 73.329999999999998 111.113 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.52 -47.69 82.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 74.25 110.911 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 95' ' ' GLN . 1.3 mm? -48.31 -54.14 14.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 75.129999999999995 110.91 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.628 HG22 HD21 ' A' ' 64' ' ' LEU . 15.7 pt -68.51 -15.87 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 70.209999999999994 111.103 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -87.99 -11.92 45.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 72.329999999999998 110.873 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.647 HD13 HG11 ' A' ' 26' ' ' VAL . 13.4 mt -74.74 -39.6 61.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 65.230000000000004 110.894 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.9 mp -87.04 -3.32 59.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 74.319999999999993 110.92 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.61 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 5.1 mt-10 -64.04 -54.26 41.6 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.608 0.718 . . . . 63.229999999999997 110.843 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 54.1 Cg_endo -69.71 -7.03 19.99 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.734 2.289 . . . . 73.129999999999995 112.363 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -96.0 -16.43 21.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 74.430000000000007 110.889 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' A' ' 103' ' ' GLU . 18.5 mt -57.35 -39.68 69.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 75.540000000000006 111.11 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.59 -38.49 90.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 64.219999999999999 111.051 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.2 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 64.310000000000002 110.865 -179.769 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.761 0.315 . . . . 74.230000000000004 110.927 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.5 p -45.2 -26.98 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 54.530000000000001 110.916 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -53.6 -47.79 69.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 71.010000000000005 110.857 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -52.15 -38.72 58.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 65.439999999999998 110.933 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.553 HG21 ' C ' ' A' ' 71' ' ' MET . 73.8 t -54.93 -60.81 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 74.299999999999997 111.154 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -50.67 -44.79 57.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 72.030000000000001 110.901 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.71 -44.83 95.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 71.400000000000006 111.094 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.69 -49.05 76.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 75.319999999999993 110.986 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.6 mt -55.38 -49.64 71.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 74.530000000000001 111.139 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.18 -51.95 67.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 65.530000000000001 111.153 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -54.37 -26.74 31.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 74.230000000000004 110.937 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -76.39 -33.73 58.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 74.549999999999997 110.911 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.58 ' HB3' HD12 ' A' ' 19' ' ' ILE . 7.2 mt -67.35 -23.56 65.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 71.150000000000006 110.89 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -56.98 -24.37 52.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 73.030000000000001 110.909 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.96 -19.62 40.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.082 -0.508 . . . . 62.030000000000001 110.881 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.837 HG23 ' CZ ' ' A' ' 24' ' ' ARG . 96.4 mt -50.13 104.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 72.510000000000005 111.138 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.68 145.72 33.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.559 0.695 . . . . 72.219999999999999 110.944 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -11.61 31.21 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.671 2.247 . . . . 73.519999999999996 112.382 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.9 -10.04 59.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.232 -0.44 . . . . 74.400000000000006 111.077 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -174.55 104.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 71.219999999999999 110.88 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.837 ' CZ ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -116.28 -167.82 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.040000000000006 110.856 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -170.57 90.98 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 73.400000000000006 110.883 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.665 HG11 HD23 ' A' ' 98' ' ' LEU . 31.6 t 64.17 112.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 62.439999999999998 111.125 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -120.48 126.91 51.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 64.430000000000007 110.871 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -168.85 175.47 5.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 70.019999999999996 110.858 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.3 t -87.03 140.77 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 54.229999999999997 111.083 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -126.53 139.86 52.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 71.040000000000006 110.933 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.44 139.61 41.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 74.420000000000002 110.826 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.07 117.65 21.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 73.129999999999995 110.86 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.709 ' HB2' HG23 ' A' ' 65' ' ' THR . 24.3 mmt85 -104.38 131.8 51.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 75.140000000000001 110.875 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.8 mm -110.92 90.63 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 73.200000000000003 111.105 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.591 HG22 HG22 ' A' ' 40' ' ' VAL . 9.5 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 73.349999999999994 111.213 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.591 HG22 HG22 ' A' ' 35' ' ' THR . 4.6 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.928 0.394 . . . . 63.310000000000002 111.035 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 m -123.26 -23.67 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 44.340000000000003 111.205 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.47 154.36 26.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 64.319999999999993 110.939 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -109.6 159.29 17.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 72.109999999999999 110.862 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.505 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -143.5 138.77 29.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.485 . . . . 73.329999999999998 110.896 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 56' ' ' SER . 97.3 t -120.21 142.98 33.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 60.539999999999999 111.152 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.604 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.7 tpp -100.84 96.65 7.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 72.040000000000006 110.894 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.46 84.58 3.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 72.400000000000006 110.812 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 46' ' ' MET . 6.1 mp -78.82 -8.33 58.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 74.540000000000006 110.892 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -83.71 -55.92 4.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 64.209999999999994 110.88 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -85.75 -3.86 59.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 41.399999999999999 110.877 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.7 t 69.44 49.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 71.439999999999998 111.136 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -147.84 171.53 15.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 73.310000000000002 110.879 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.543 HD21 ' SD ' ' A' ' 46' ' ' MET . 1.4 mp -131.57 100.12 5.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 71.219999999999999 110.988 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -98.17 178.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 72.400000000000006 111.125 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.505 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 11.0 pm0 -109.71 113.52 26.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 73.519999999999996 110.879 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.508 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -167.5 167.14 13.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 73.409999999999997 110.889 -179.777 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.9 117.65 23.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 71.219999999999999 110.895 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -150.74 164.1 36.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 62.329999999999998 110.856 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.64 92.46 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 64.140000000000001 111.038 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.24 157.8 16.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 60.25 111.169 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -63.97 -25.17 68.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 63.549999999999997 110.905 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.33 123.98 19.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 60.229999999999997 111.074 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 54.7 m -100.35 125.27 46.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 73.239999999999995 111.136 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.849 HD21 HG22 ' A' ' 99' ' ' ILE . 2.1 mp -124.49 105.89 9.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 42.200000000000003 110.951 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.709 HG23 ' HB2' ' A' ' 33' ' ' ARG . 1.2 m -100.35 129.59 46.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 74.439999999999998 111.163 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.562 ' HG2' HG21 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -157.35 148.73 21.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 74.319999999999993 110.951 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -83.94 166.12 18.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 74.439999999999998 110.87 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.08 -57.07 10.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 75.340000000000003 110.905 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -51.22 -36.44 41.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 74.019999999999996 110.812 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.562 HG21 ' HG2' ' A' ' 66' ' ' MET . 13.2 mm -67.13 -35.38 74.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 73.310000000000002 111.118 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.553 ' C ' HG21 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -64.27 -46.73 82.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 75.0 110.922 179.82 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -73.45 -30.38 63.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 63.32 110.883 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.47 -59.36 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 72.109999999999999 111.109 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.462 HD12 HG23 ' A' ' 70' ' ' ILE . 59.5 mt -73.4 -46.27 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 62.020000000000003 111.149 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -48.61 -35.93 17.29 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.725 -0.75 . . . . 54.009999999999998 112.484 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 66.6 p -88.26 -21.96 24.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 74.329999999999998 111.205 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.97 31.87 16.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 72.340000000000003 112.516 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.47 -39.97 21.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.339 . . . . 51.420000000000002 111.12 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.1 mt -119.19 154.78 53.79 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.577 0.703 . . . . 75.140000000000001 110.918 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 121.82 8.51 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.71 2.274 . . . . 72.450000000000003 112.355 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.87 -25.69 68.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 35.219999999999999 111.074 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -71.16 -51.32 25.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 64.019999999999996 110.908 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.58 -45.07 95.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 73.200000000000003 110.816 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.66 -51.05 52.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 63.32 111.059 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 10.6 mtm -76.67 -26.47 54.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 72.329999999999998 110.878 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.33 -31.75 70.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 44.200000000000003 111.132 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -90.68 27.87 1.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 63.450000000000003 110.924 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 48.46 28.72 1.79 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 74.430000000000007 110.836 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.42 2.05 51.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 64.209999999999994 110.918 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.408 ' HG2' ' HG3' ' A' ' 66' ' ' MET . 0.6 OUTLIER -154.35 149.42 26.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 63.100000000000001 110.801 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -123.91 108.13 12.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 65.450000000000003 110.947 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 64' ' ' LEU . 15.6 m -125.42 144.04 36.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 74.540000000000006 111.168 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -132.96 113.2 12.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 71.329999999999998 110.82 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.14 168.23 29.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 62.439999999999998 112.494 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.408 ' HB2' HD12 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -54.51 114.8 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.861 0.362 . . . . 74.109999999999999 110.921 -179.879 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 40.7 t -44.05 -43.51 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 73.329999999999998 111.106 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -55.89 -50.17 71.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 74.25 110.89 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.665 HD23 HG11 ' A' ' 26' ' ' VAL . 70.7 mt -48.1 -53.47 16.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 75.129999999999995 110.882 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.849 HG22 HD21 ' A' ' 64' ' ' LEU . 36.1 pt -72.45 -20.75 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 70.209999999999994 111.115 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -81.57 -18.8 43.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 72.329999999999998 110.864 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.0 mt -76.19 -32.59 59.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 65.230000000000004 110.978 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.2 mp -86.67 -7.74 58.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 74.319999999999993 110.928 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.664 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 16.5 mt-10 -63.61 -51.17 68.26 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.65 0.738 . . . . 63.229999999999997 110.92 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.664 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.8 Cg_endo -69.73 -8.63 24.1 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.725 2.283 . . . . 73.129999999999995 112.335 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -101.05 -15.68 17.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 74.430000000000007 110.91 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.9 mm -44.33 -53.25 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 75.540000000000006 111.112 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -70.91 -47.83 56.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 64.219999999999999 111.082 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 64.310000000000002 110.831 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.822 0.344 . . . . 74.230000000000004 110.933 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 p -44.36 -31.8 1.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 54.530000000000001 110.891 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.97 -50.48 66.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.51 . . . . 71.010000000000005 110.9 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -52.01 -38.41 56.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 65.439999999999998 110.857 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.574 HG13 ' HA3' ' A' ' 75' ' ' GLY . 57.3 t -51.92 -60.24 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 74.299999999999997 111.088 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -47.59 -43.02 25.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 72.030000000000001 110.839 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.22 -39.13 85.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 71.400000000000006 111.099 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -67.68 -53.6 26.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 75.319999999999993 110.906 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.2 mt -55.31 -38.96 49.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 74.530000000000001 111.188 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.507 ' HB2' ' HB2' ' A' ' 53' ' ' LEU . . . -71.02 -52.43 19.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 65.530000000000001 111.107 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -52.99 -30.42 35.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 74.230000000000004 110.871 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -33.07 69.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 74.549999999999997 110.849 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.439 ' HB3' HG13 ' A' ' 51' ' ' VAL . 7.5 mt -65.29 -23.75 67.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 71.150000000000006 110.854 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -54.36 -21.81 10.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 73.030000000000001 110.872 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.11 -27.3 22.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 62.030000000000001 110.89 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.812 HG23 ' CZ ' ' A' ' 24' ' ' ARG . 54.1 mt -47.55 104.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 72.510000000000005 111.106 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.36 144.36 28.84 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.65 0.738 . . . . 72.219999999999999 110.837 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -10.34 28.29 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 73.519999999999996 112.347 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.71 -10.43 59.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 74.400000000000006 111.115 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.25 103.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 71.219999999999999 110.853 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.812 ' CZ ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -118.44 177.03 4.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 73.040000000000006 110.856 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -113.06 -42.65 3.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 73.400000000000006 110.959 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 p -173.95 142.01 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 62.439999999999998 111.075 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -117.02 124.03 48.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 64.430000000000007 110.908 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -171.38 179.4 2.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 70.019999999999996 110.861 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.5 t -93.08 139.2 18.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 54.229999999999997 111.147 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.771 ' CE2' HD13 ' A' ' 64' ' ' LEU . 6.6 t80 -128.33 136.24 50.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 71.040000000000006 110.942 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -117.12 142.48 46.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 74.420000000000002 110.915 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.473 ' CE2' ' HE1' ' A' ' 46' ' ' MET . 0.1 OUTLIER -121.03 152.55 38.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 73.129999999999995 110.901 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.563 ' CD ' HG23 ' A' ' 65' ' ' THR . 1.2 ttt180 -126.12 127.06 45.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 75.140000000000001 110.928 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 40.3 mm -115.91 90.71 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 73.200000000000003 111.088 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.546 HG22 ' HA ' ' A' ' 40' ' ' VAL . 4.9 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 73.349999999999994 111.148 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.546 ' HA ' HG22 ' A' ' 35' ' ' THR . 12.1 p . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.859 0.361 . . . . 63.310000000000002 111.174 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.6 m -124.54 -17.64 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 44.340000000000003 111.128 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.22 143.94 1.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 64.319999999999993 110.907 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -103.02 156.53 17.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 72.109999999999999 110.893 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.417 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.8 OUTLIER -128.78 160.12 33.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.259 -0.428 . . . . 73.329999999999998 110.888 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 56' ' ' SER . 28.4 t -132.97 143.11 40.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 60.539999999999999 111.173 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.473 ' HE1' ' CE2' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -109.34 104.32 13.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 72.040000000000006 110.855 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -81.04 84.59 6.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 72.400000000000006 110.922 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.7 mt -78.53 -15.76 58.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.3 -0.409 . . . . 74.540000000000006 110.848 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -76.57 -46.14 27.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 64.209999999999994 110.938 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.57 -4.24 51.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 41.399999999999999 110.861 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.439 HG13 ' HB3' ' A' ' 16' ' ' LEU . 3.7 t 67.73 48.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 71.439999999999998 111.105 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -148.45 164.45 34.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 73.310000000000002 110.838 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.507 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 1.6 mp -121.08 130.88 53.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 71.219999999999999 110.896 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 m -135.23 171.68 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 72.400000000000006 111.16 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.2 pm0 -108.02 114.23 27.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 73.519999999999996 110.843 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.699 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -167.67 166.99 13.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 73.409999999999997 110.799 -179.759 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.1 117.4 23.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.063 -0.517 . . . . 71.219999999999999 110.89 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.06 164.27 38.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 62.329999999999998 110.958 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.41 91.39 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 64.140000000000001 111.097 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.51 149.97 20.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 60.25 111.126 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -22.06 66.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 63.549999999999997 110.889 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.59 124.01 19.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 60.229999999999997 111.12 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.6 m -110.66 123.36 49.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 73.239999999999995 111.165 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.771 HD13 ' CE2' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -117.87 122.1 42.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 42.200000000000003 110.923 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.563 HG23 ' CD ' ' A' ' 33' ' ' ARG . 4.5 m -106.19 126.14 51.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.251 -0.431 . . . . 74.439999999999998 111.129 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.487 ' SD ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -155.42 144.74 20.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 74.319999999999993 110.838 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -78.88 160.44 27.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 74.439999999999998 110.924 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.5 -58.93 3.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.161 -0.472 . . . . 75.340000000000003 110.879 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.77 -34.37 27.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 74.019999999999996 110.891 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.422 HG21 ' HG2' ' A' ' 66' ' ' MET . 12.0 mm -71.67 -42.4 71.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 73.310000000000002 111.125 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.442 ' HG3' HG11 ' A' ' 8' ' ' VAL . 11.3 tpt -52.78 -46.43 67.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 75.0 110.857 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -69.09 -30.43 68.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 63.32 110.866 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.09 -59.53 2.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 72.109999999999999 111.108 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.717 ' O ' HG23 ' A' ' 106' ' ' ILE . 41.3 mt -67.38 -47.32 81.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 62.020000000000003 111.153 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.574 ' HA3' HG13 ' A' ' 8' ' ' VAL . . . -50.74 -37.62 34.97 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.746 -0.74 . . . . 54.009999999999998 112.522 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 65.7 p -90.51 -10.73 42.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 74.329999999999998 111.087 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.43 33.78 52.07 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.777 -0.725 . . . . 72.340000000000003 112.45 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.56 -39.62 17.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 51.420000000000002 111.082 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.0 mt -118.22 150.8 48.3 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 121.657 0.741 . . . . 75.140000000000001 110.899 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 122.6 9.3 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.616 2.21 . . . . 72.450000000000003 112.391 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.459 ' HB1' ' HE3' ' A' ' 85' ' ' MET . . . -65.04 -27.02 68.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 35.219999999999999 111.114 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -53.73 13.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 64.019999999999996 110.909 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.6 -44.15 96.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 73.200000000000003 110.877 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.97 -51.0 56.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 63.32 111.068 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.459 ' HE3' ' HB1' ' A' ' 81' ' ' ALA . 8.1 mtm -76.85 -26.46 54.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 72.329999999999998 110.862 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.32 -31.18 70.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 44.200000000000003 111.053 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -89.19 28.41 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 63.450000000000003 110.928 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 46.66 28.55 0.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 74.430000000000007 110.906 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.63 4.42 51.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 64.209999999999994 110.926 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.4 ' HG2' ' HG3' ' A' ' 66' ' ' MET . 0.1 OUTLIER -160.63 147.98 15.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 63.100000000000001 110.901 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -121.44 108.37 13.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 65.450000000000003 110.797 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 90.1 t -111.78 143.05 22.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 74.540000000000006 111.17 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -131.63 113.27 13.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 71.329999999999998 110.841 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.77 167.37 27.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.779 -0.724 . . . . 62.439999999999998 112.542 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.767 ' HB2' HD12 ' A' ' 98' ' ' LEU . 1.5 tp60 -56.33 120.98 8.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 74.109999999999999 110.902 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 87.9 t -43.12 -53.45 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 73.329999999999998 111.121 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.87 -49.18 76.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 74.25 110.871 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.767 HD12 ' HB2' ' A' ' 95' ' ' GLN . 2.1 mt -48.37 -54.04 15.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 75.129999999999995 110.916 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.542 HG22 HD11 ' A' ' 64' ' ' LEU . 30.8 pt -71.87 -23.8 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 70.209999999999994 111.113 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -75.26 -12.84 60.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.463 . . . . 72.329999999999998 110.877 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 44.2 mt -75.7 -32.43 60.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 65.230000000000004 110.925 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.1 mp -88.15 -7.73 56.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 74.319999999999993 110.885 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.683 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 18.1 mt-10 -64.65 -48.97 72.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.722 0.773 . . . . 63.229999999999997 110.913 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.683 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.6 Cg_endo -69.82 -8.0 22.51 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.662 2.241 . . . . 73.129999999999995 112.305 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -101.29 -17.07 16.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 74.430000000000007 110.918 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.717 HG23 ' O ' ' A' ' 74' ' ' ILE . 30.7 mt -55.14 -53.14 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 75.540000000000006 111.081 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -94.01 24.35 4.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 64.219999999999999 111.044 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 64.310000000000002 110.892 -179.791 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.78 0.324 . . . . 63.32 110.914 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.89 130.74 37.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 54.229999999999997 110.849 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.516 HD12 ' HB2' ' A' ' 5' ' ' SER . 0.3 OUTLIER -96.01 178.0 5.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.495 . . . . 75.019999999999996 110.907 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.9 mmpt? -65.42 -58.95 4.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 74.230000000000004 110.875 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.516 ' HB2' HD12 ' A' ' 3' ' ' LEU . 17.9 m -46.07 -29.38 1.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 54.530000000000001 110.847 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.21 -49.95 68.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 71.010000000000005 110.857 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.53 -36.99 56.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 65.439999999999998 110.861 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.1 t -54.58 -59.78 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 74.299999999999997 111.131 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -50.21 -45.18 53.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 72.030000000000001 110.923 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.87 98.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 71.400000000000006 111.088 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.456 ' HB3' HD22 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -61.51 -52.13 65.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.426 . . . . 75.319999999999993 110.868 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.3 mt -54.46 -51.97 44.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 74.530000000000001 111.134 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.469 ' HA ' HD12 ' A' ' 16' ' ' LEU . . . -57.09 -51.72 68.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 65.530000000000001 111.092 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.23 -33.47 65.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 74.230000000000004 110.863 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.407 ' HG3' ' HB2' ' A' ' 108' ' ' SER . 0.0 OUTLIER -69.26 -35.21 75.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 74.549999999999997 110.904 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.606 ' HB3' HG13 ' A' ' 51' ' ' VAL . 66.3 mt -60.99 -32.81 72.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 71.150000000000006 110.885 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -66.21 -15.93 63.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 73.030000000000001 110.887 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.66 -50.19 18.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 62.030000000000001 110.895 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.475 HD12 ' HA ' ' A' ' 16' ' ' LEU . 2.7 mp -47.76 104.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.493 . . . . 72.510000000000005 111.152 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.99 144.93 99.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.623 0.725 . . . . 72.219999999999999 110.894 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -15.25 36.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.256 . . . . 73.519999999999996 112.356 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.02 -2.28 39.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 74.400000000000006 111.11 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -168.54 104.62 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 71.219999999999999 110.882 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.7 mmm-85 -109.31 169.19 8.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 73.040000000000006 110.879 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -115.48 -78.54 0.58 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 73.400000000000006 110.923 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.436 ' HB ' HD13 ' A' ' 101' ' ' LEU . 92.2 t -151.08 113.66 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 62.439999999999998 111.157 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.41 135.56 54.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 64.430000000000007 110.892 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -162.67 178.98 8.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 70.019999999999996 110.868 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.3 t -86.86 122.05 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 54.229999999999997 111.135 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -117.89 162.31 18.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 71.040000000000006 110.909 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.535 ' HE2' HG23 ' A' ' 63' ' ' THR . 9.5 ttpt -124.5 136.08 53.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 74.420000000000002 110.894 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -126.65 121.09 31.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 73.129999999999995 110.829 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.634 ' CB ' HG23 ' A' ' 65' ' ' THR . 0.0 OUTLIER -109.79 130.95 55.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 75.140000000000001 110.866 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.714 ' O ' HG12 ' A' ' 41' ' ' VAL . 24.6 mm -107.59 90.99 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 73.200000000000003 111.114 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.659 HG22 ' HA ' ' A' ' 40' ' ' VAL . 15.5 p -89.34 137.48 32.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 73.349999999999994 111.147 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.413 ' HG2' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -107.16 97.49 7.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 63.409999999999997 110.912 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.08 -50.08 2.77 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 64.450000000000003 112.492 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.78 -23.18 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 74.120000000000005 112.535 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -108.66 146.63 33.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 62.520000000000003 110.885 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.659 ' HA ' HG22 ' A' ' 35' ' ' THR . 44.0 t -62.35 149.15 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 63.310000000000002 111.135 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.714 HG12 ' O ' ' A' ' 34' ' ' ILE . 1.2 p -125.07 -18.27 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 44.340000000000003 111.144 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -174.64 165.39 3.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 64.319999999999993 110.882 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -112.66 154.1 26.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 72.109999999999999 110.844 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.473 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -139.89 142.29 36.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 73.329999999999998 110.955 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 56' ' ' SER . 26.9 t -123.85 141.88 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 60.539999999999999 111.144 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.488 ' SD ' HD21 ' A' ' 53' ' ' LEU . 1.1 tpp -100.63 100.52 11.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 72.040000000000006 110.891 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.27 80.21 5.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 72.400000000000006 110.822 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.44 HD13 HD22 ' A' ' 16' ' ' LEU . 1.0 OUTLIER -73.88 -12.87 60.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 74.540000000000006 110.908 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -82.13 -52.32 7.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 64.209999999999994 110.861 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -86.86 -6.36 58.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 41.399999999999999 110.826 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.606 HG13 ' HB3' ' A' ' 16' ' ' LEU . 5.1 t 69.74 48.53 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 71.439999999999998 111.184 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.66 170.11 18.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 73.310000000000002 110.941 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.488 HD21 ' SD ' ' A' ' 46' ' ' MET . 2.2 mp -129.52 100.43 5.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 71.219999999999999 110.885 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 m -99.77 175.07 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 72.400000000000006 111.146 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.473 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.8 pm0 -106.78 111.04 23.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 73.519999999999996 110.915 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.706 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -167.15 166.59 14.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 73.409999999999997 110.861 -179.842 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.81 118.28 23.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 71.219999999999999 110.906 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.5 162.69 39.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 62.329999999999998 110.846 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.28 91.31 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 64.140000000000001 111.072 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -93.7 156.18 16.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 60.25 111.14 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.82 -22.28 66.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 63.549999999999997 110.894 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.97 124.14 17.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 60.229999999999997 111.115 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.535 HG23 ' HE2' ' A' ' 31' ' ' LYS . 97.9 m -104.03 128.23 51.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 73.239999999999995 111.156 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.84 114.44 19.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 42.200000000000003 110.918 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.634 HG23 ' CB ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -110.16 129.26 55.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 74.439999999999998 111.152 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.444 ' HG3' ' HG2' ' A' ' 90' ' ' MET . 0.3 OUTLIER -155.66 144.94 20.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 74.319999999999993 110.844 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -78.52 158.83 28.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 74.439999999999998 110.932 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.84 -52.47 32.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 75.340000000000003 110.895 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.08 -35.15 24.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 74.019999999999996 110.852 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.429 ' CG2' HD12 ' A' ' 74' ' ' ILE . 14.9 mm -83.6 -24.8 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 73.310000000000002 111.098 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.538 ' HG3' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -57.52 -52.38 65.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 75.0 110.882 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.491 ' C ' ' CD1' ' A' ' 72' ' ' PHE . 3.6 p90 -73.9 -29.12 61.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 63.32 110.91 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.58 -59.97 2.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 72.109999999999999 111.104 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.429 HD12 ' CG2' ' A' ' 70' ' ' ILE . 71.3 mt -70.77 -43.13 77.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 62.020000000000003 111.109 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.617 ' O ' HD12 ' A' ' 109' ' ' LEU . . . -52.63 -38.25 52.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 54.009999999999998 112.5 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 34.4 p -93.94 1.76 56.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 74.329999999999998 111.11 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.48 28.96 73.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 72.340000000000003 112.527 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.56 -39.69 70.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.319 . . . . 51.420000000000002 111.049 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 31.2 mt -119.74 153.78 54.67 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.575 0.703 . . . . 75.140000000000001 110.957 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 122.66 9.34 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.666 2.244 . . . . 72.450000000000003 112.352 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.456 ' HB1' ' HE1' ' A' ' 85' ' ' MET . . . -60.59 -28.48 68.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 35.219999999999999 111.096 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.19 -57.05 4.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 64.019999999999996 110.901 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.26 -43.71 98.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 73.200000000000003 110.849 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.491 ' HB1' ' SD ' ' A' ' 90' ' ' MET . . . -51.04 -51.55 52.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 63.32 111.079 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.456 ' HE1' ' HB1' ' A' ' 81' ' ' ALA . 8.0 mtm -77.11 -26.86 53.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 72.329999999999998 110.882 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.93 -31.88 67.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 44.200000000000003 111.127 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -90.11 27.62 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 63.450000000000003 110.866 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 46.35 30.17 0.99 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 74.430000000000007 110.829 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -94.44 7.07 46.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 64.209999999999994 110.927 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.491 ' SD ' ' HB1' ' A' ' 84' ' ' ALA . 2.3 mtm -150.95 144.19 24.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 63.100000000000001 110.88 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -119.22 108.91 15.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 65.450000000000003 110.932 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.7 p -128.19 140.34 49.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 74.540000000000006 111.105 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -131.75 113.78 13.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 71.329999999999998 110.84 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.38 168.04 28.96 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.718 -0.753 . . . . 62.439999999999998 112.493 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.449 ' HB3' HD12 ' A' ' 98' ' ' LEU . 52.5 tp60 -54.29 118.59 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 74.109999999999999 110.919 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.4 t -43.19 -50.2 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 73.329999999999998 111.128 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -50.33 71.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 74.25 110.887 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.775 ' HA ' HD12 ' A' ' 101' ' ' LEU . 7.7 mt -48.48 -54.11 15.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 75.129999999999995 110.903 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.441 ' O ' ' HG3' ' A' ' 200' ' ' PLM . 43.6 pt -68.96 -24.23 28.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 70.209999999999994 111.16 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.17 -15.37 60.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 72.329999999999998 110.899 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.775 HD12 ' HA ' ' A' ' 98' ' ' LEU . 4.6 mt -76.01 -32.61 59.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 65.230000000000004 110.966 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.471 HD23 ' HA1' ' A' ' 200' ' ' PLM . 7.3 mp -84.65 -12.26 54.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 74.319999999999993 110.978 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.621 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 18.4 mt-10 -59.74 -53.48 65.18 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.64 0.733 . . . . 63.229999999999997 110.898 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.621 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.7 Cg_endo -69.71 -9.16 25.44 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 73.129999999999995 112.39 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -95.77 -17.26 21.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.430000000000007 110.897 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.697 HD11 ' HE1' ' A' ' 200' ' ' PLM . 23.4 mt -56.51 -44.58 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 75.540000000000006 111.113 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.71 -37.48 71.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 64.219999999999999 111.114 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.407 ' HB2' ' HG3' ' A' ' 15' ' ' ARG . 24.2 m -50.68 -27.37 6.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 64.310000000000002 110.899 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.617 HD12 ' O ' ' A' ' 75' ' ' GLY . 5.7 mt -86.0 169.47 13.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 61.520000000000003 110.886 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 61.549999999999997 110.882 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 200' ' ' PLM . . . . . 0.697 ' HE1' HD11 ' A' ' 106' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ttt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.771 0.319 . . . . 63.32 110.861 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -127.28 140.94 51.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 54.229999999999997 110.855 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.98 170.82 7.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 75.019999999999996 110.904 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -67.56 -60.32 2.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 74.230000000000004 110.85 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.403 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 79.4 p -44.7 -30.96 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 54.530000000000001 110.817 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -53.97 -50.44 66.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 71.010000000000005 110.928 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.76 -37.01 39.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 65.439999999999998 110.885 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.812 HG11 ' HG3' ' A' ' 71' ' ' MET . 92.8 t -56.43 -57.94 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 74.299999999999997 111.12 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -48.9 -45.54 41.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 72.030000000000001 110.898 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.58 -47.73 84.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 71.400000000000006 111.086 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.666 ' HB2' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -58.45 -53.01 63.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 75.319999999999993 110.902 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.759 HG13 HD21 ' A' ' 109' ' ' LEU . 22.9 mt -54.76 -54.04 26.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 74.530000000000001 111.125 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.69 -52.92 62.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 65.530000000000001 111.152 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -53.69 -29.49 39.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 74.230000000000004 110.884 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -33.49 64.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 74.549999999999997 110.823 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.718 ' HB3' HD12 ' A' ' 19' ' ' ILE . 7.4 mt -66.99 -20.74 65.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 71.150000000000006 110.86 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -56.24 -21.78 25.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 73.030000000000001 110.88 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.18 -22.63 26.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 62.030000000000001 110.905 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.746 HG23 ' CZ ' ' A' ' 24' ' ' ARG . 96.5 mt -49.84 104.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.057 -0.519 . . . . 72.510000000000005 111.104 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.69 143.44 28.2 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 121.623 0.725 . . . . 72.219999999999999 110.887 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -16.15 37.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.72 2.28 . . . . 73.519999999999996 112.26 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.54 -6.66 49.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 74.400000000000006 111.08 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -171.34 103.8 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 71.219999999999999 110.888 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.746 ' CZ ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -125.13 173.44 8.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 73.040000000000006 110.902 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.456 ' HB3' HD11 ' A' ' 101' ' ' LEU . 55.8 mm-40 -124.37 -55.75 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 73.400000000000006 110.909 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.798 HG11 HD23 ' A' ' 98' ' ' LEU . 98.7 t -151.82 109.62 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 62.439999999999998 111.108 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.74 125.12 51.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 64.430000000000007 110.898 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.56 179.16 3.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 70.019999999999996 110.844 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.4 t -91.82 133.1 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 54.229999999999997 111.134 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -119.97 167.22 12.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 71.040000000000006 110.954 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.643 ' CE ' HG22 ' A' ' 45' ' ' VAL . 1.3 tpmt? -134.06 136.57 44.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 74.420000000000002 110.898 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.482 ' O ' ' HB2' ' A' ' 44' ' ' TRP . 0.4 OUTLIER -130.19 111.36 12.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 73.129999999999995 110.887 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.742 ' HB2' HG23 ' A' ' 65' ' ' THR . 3.1 mtt-85 -100.02 134.7 42.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 75.140000000000001 110.82 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.628 ' O ' HG22 ' A' ' 41' ' ' VAL . 23.3 mm -104.58 90.44 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 73.200000000000003 111.103 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.822 HG22 HG22 ' A' ' 40' ' ' VAL . 80.4 p -91.22 158.97 16.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 73.349999999999994 111.115 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -135.52 98.04 3.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 63.409999999999997 110.925 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.17 -50.98 1.89 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 64.450000000000003 112.461 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.17 -31.44 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 74.120000000000005 112.508 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -102.76 155.33 18.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.349 . . . . 62.520000000000003 110.938 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.822 HG22 HG22 ' A' ' 35' ' ' THR . 47.8 t -80.86 148.94 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 63.310000000000002 111.127 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.628 HG22 ' O ' ' A' ' 34' ' ' ILE . 29.3 m -125.05 -18.33 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 44.340000000000003 111.182 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.96 156.93 15.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 64.319999999999993 110.878 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.02 152.64 34.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 72.109999999999999 110.894 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.482 ' HB2' ' O ' ' A' ' 32' ' ' PHE . 0.4 OUTLIER -135.6 147.09 48.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 73.329999999999998 110.925 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 56' ' ' SER . 29.1 t -121.81 142.87 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 60.539999999999999 111.14 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.418 ' HG3' HD11 ' A' ' 53' ' ' LEU . 5.3 ttm -100.77 97.33 7.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 72.040000000000006 110.888 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.57 80.45 4.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 72.400000000000006 110.871 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 48' ' ' LEU . 10.8 mt -74.29 -10.12 59.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 74.540000000000006 110.921 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -82.03 -52.6 6.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 64.209999999999994 110.929 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.406 ' C ' HG23 ' A' ' 51' ' ' VAL . 6.1 t30 -87.43 -5.44 58.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 41.399999999999999 110.904 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.406 HG23 ' C ' ' A' ' 50' ' ' ASN . 3.5 t 70.51 47.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 71.439999999999998 111.1 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.3 168.47 22.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 73.310000000000002 110.964 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.418 HD11 ' HG3' ' A' ' 46' ' ' MET . 0.8 OUTLIER -128.0 100.56 5.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 71.219999999999999 110.97 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 m -97.96 176.05 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 72.400000000000006 111.096 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.479 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 4.1 pm0 -107.79 111.24 23.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 73.519999999999996 110.972 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.687 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -167.64 167.75 13.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 73.409999999999997 110.876 -179.769 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -128.01 118.41 23.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 71.219999999999999 110.828 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.89 163.19 38.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 62.329999999999998 110.849 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.68 91.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 64.140000000000001 111.088 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.538 ' HB2' ' NZ ' ' A' ' 31' ' ' LYS . . . -94.42 149.23 21.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 60.25 111.067 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -22.51 66.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 63.549999999999997 110.912 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.67 124.26 18.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 60.229999999999997 111.099 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.7 m -104.8 127.4 52.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 73.239999999999995 111.108 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.38 106.95 10.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 42.200000000000003 110.919 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.742 HG23 ' HB2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -98.93 128.8 45.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 74.439999999999998 111.156 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -155.04 144.22 21.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 74.319999999999993 110.875 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -78.81 162.48 26.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 74.439999999999998 110.936 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.75 -59.03 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 75.340000000000003 110.851 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -51.29 -42.97 61.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 74.019999999999996 110.8 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.417 HD13 ' HA ' ' A' ' 70' ' ' ILE . 15.2 mm -60.27 -37.23 73.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 73.310000000000002 111.181 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.812 ' HG3' HG11 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -60.81 -45.64 93.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.0 110.941 179.794 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -69.41 -30.37 68.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 63.32 110.916 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.603 ' HB1' ' HG ' ' A' ' 79' ' ' LEU . . . -75.38 -59.43 2.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 72.109999999999999 111.118 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.43 ' O ' HG23 ' A' ' 106' ' ' ILE . 55.7 mt -69.11 -44.32 81.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 62.020000000000003 111.109 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.459 ' O ' HD22 ' A' ' 109' ' ' LEU . . . -52.17 -39.81 51.02 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.755 -0.736 . . . . 54.009999999999998 112.465 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 41.4 p -92.65 7.13 44.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.343 . . . . 74.329999999999998 111.124 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 58.02 30.91 64.22 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.755 -0.736 . . . . 72.340000000000003 112.473 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.82 -38.81 70.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 51.420000000000002 111.083 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.603 ' HG ' ' HB1' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -125.74 157.17 69.66 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.621 0.724 . . . . 75.140000000000001 110.947 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 123.51 10.16 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.667 2.245 . . . . 72.450000000000003 112.331 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.03 -26.85 67.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 35.219999999999999 111.109 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.21 -56.68 5.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 64.019999999999996 110.884 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -43.39 97.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 73.200000000000003 110.898 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.633 ' HB1' ' HE1' ' A' ' 90' ' ' MET . . . -51.03 -52.96 37.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 63.32 111.162 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.9 mtm -75.26 -26.44 58.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 72.329999999999998 110.852 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.93 -34.69 70.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 44.200000000000003 111.068 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -87.29 27.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 63.450000000000003 110.928 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 46.65 28.92 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 74.430000000000007 110.897 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.31 2.83 56.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 64.209999999999994 110.846 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.633 ' HE1' ' HB1' ' A' ' 84' ' ' ALA . 3.1 mtm -150.43 146.22 26.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 63.100000000000001 110.872 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -118.47 108.77 15.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 65.450000000000003 110.918 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.1 p -124.59 137.61 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 74.540000000000006 111.081 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -131.22 113.47 13.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 71.329999999999998 110.872 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.37 168.11 29.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 62.439999999999998 112.495 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.689 ' HB2' HD12 ' A' ' 98' ' ' LEU . 11.8 tp60 -54.36 120.2 6.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.804 0.335 . . . . 74.109999999999999 110.913 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.4 t -43.0 -50.72 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 73.329999999999998 111.164 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.86 -50.09 73.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 74.25 110.834 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.798 HD23 HG11 ' A' ' 26' ' ' VAL . 34.8 mt -48.03 -53.91 14.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 75.129999999999995 110.855 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 34.5 pt -71.45 -24.17 23.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 70.209999999999994 111.124 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -75.77 -14.27 60.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 72.329999999999998 110.812 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.456 HD11 ' HB3' ' A' ' 25' ' ' GLN . 1.0 OUTLIER -75.33 -35.52 61.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 65.230000000000004 110.903 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.502 HD11 ' H52' ' A' ' 200' ' ' PLM . 5.7 mp -85.14 -7.45 59.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 74.319999999999993 110.901 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.629 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 19.7 mt-10 -63.33 -53.36 53.75 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.625 0.726 . . . . 63.229999999999997 110.893 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.629 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 54.3 Cg_endo -69.67 -7.78 21.92 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.757 2.305 . . . . 73.129999999999995 112.37 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -97.99 -17.09 19.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 74.430000000000007 110.896 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.561 HD11 ' HE1' ' A' ' 200' ' ' PLM . 23.3 mt -51.61 -39.42 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 75.540000000000006 111.132 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.7 -36.18 83.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 64.219999999999999 111.073 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 32.0 m -51.48 -28.99 14.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 64.310000000000002 110.857 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.759 HD21 HG13 ' A' ' 12' ' ' ILE . 5.4 mp -69.37 171.19 9.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 61.520000000000003 110.877 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 61.549999999999997 110.867 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 200' ' ' PLM . . . . . 0.72 ' C4 ' HD11 ' A' ' 19' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.5 ptt? . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.809 0.338 . . . . 63.32 110.942 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.95 135.99 29.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 54.229999999999997 110.828 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.9 151.7 46.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 75.019999999999996 110.9 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -61.53 -58.4 8.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 74.230000000000004 110.897 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.5 m -45.88 -29.88 1.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 54.530000000000001 110.886 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -54.14 -49.86 68.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 71.010000000000005 110.916 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.99 -36.6 50.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 65.439999999999998 110.884 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.601 HG11 ' HG3' ' A' ' 71' ' ' MET . 57.3 t -56.43 -59.44 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 74.299999999999997 111.125 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -50.67 -46.39 58.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 72.030000000000001 110.85 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.63 -43.33 99.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 71.400000000000006 111.139 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.662 ' HB3' HD22 ' A' ' 109' ' ' LEU . 25.9 mmtm -58.59 -50.64 73.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 75.319999999999993 110.894 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.468 HG23 ' C8 ' ' A' ' 200' ' ' PLM . 41.3 mt -54.61 -51.09 54.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 74.530000000000001 111.127 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.665 ' HA ' HD12 ' A' ' 16' ' ' LEU . . . -57.16 -51.86 67.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 65.530000000000001 111.074 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -55.11 -32.17 61.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 74.230000000000004 110.917 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -34.62 72.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 74.549999999999997 110.96 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 13' ' ' ALA . 26.6 mt -61.87 -33.46 74.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 71.150000000000006 110.87 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -69.25 -13.7 62.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 73.030000000000001 110.926 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.36 -51.12 16.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 62.030000000000001 110.814 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 16' ' ' LEU . 2.7 mt -47.82 104.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 72.510000000000005 111.121 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.74 144.79 89.16 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.591 0.71 . . . . 72.219999999999999 110.87 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -16.77 37.66 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.721 2.28 . . . . 73.519999999999996 112.326 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.41 -0.44 37.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 74.400000000000006 111.09 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -170.72 104.79 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 71.219999999999999 110.815 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.49 ' HD2' HG22 ' A' ' 19' ' ' ILE . 41.8 mmm-85 -107.28 174.36 5.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 73.040000000000006 110.789 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -110.92 -83.07 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 73.400000000000006 110.956 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.9 t -136.58 105.09 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 62.439999999999998 111.115 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.86 126.46 34.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 64.430000000000007 110.88 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.588 ' O ' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -169.56 170.87 7.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 70.019999999999996 110.893 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.3 t -98.35 130.13 47.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 54.229999999999997 111.145 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.593 ' HD1' ' HB3' ' A' ' 62' ' ' ALA . 22.0 m-85 -117.27 161.13 19.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 71.040000000000006 110.933 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.513 ' CE ' HG22 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -125.89 138.73 53.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 74.420000000000002 110.885 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' A' ' 44' ' ' TRP . 0.1 OUTLIER -131.03 123.01 27.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 73.129999999999995 110.855 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -117.5 134.46 54.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 75.140000000000001 110.849 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.44 ' O ' HG12 ' A' ' 41' ' ' VAL . 20.2 mm -112.85 127.74 69.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 73.200000000000003 111.169 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.19 163.23 12.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 73.349999999999994 111.156 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.522 ' HB3' ' HB ' ' A' ' 41' ' ' VAL . 1.8 tt0 -143.32 98.01 3.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 63.409999999999997 110.9 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.22 42.68 18.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 64.450000000000003 112.532 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.54 8.43 66.94 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 74.120000000000005 112.491 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.97 131.6 37.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.815 0.34 . . . . 62.520000000000003 110.91 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.5 p -44.72 145.56 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 63.310000000000002 111.071 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.522 ' HB ' ' HB3' ' A' ' 36' ' ' GLN . 1.1 p -127.19 -29.34 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 44.340000000000003 111.149 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.79 165.69 3.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 64.319999999999993 110.885 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.48 152.83 29.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 72.109999999999999 110.904 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.451 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -135.36 145.04 46.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 73.329999999999998 110.897 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 56' ' ' SER . 26.6 t -125.0 141.57 44.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 60.539999999999999 111.153 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.459 ' SD ' HD21 ' A' ' 53' ' ' LEU . 2.3 tpp -100.76 97.36 8.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 72.040000000000006 110.899 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -76.14 80.56 2.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 72.400000000000006 110.9 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.588 HD13 ' O ' ' A' ' 28' ' ' HIS . 1.2 mp -72.89 -11.94 60.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 74.540000000000006 110.935 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -83.07 -53.02 6.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 64.209999999999994 110.893 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -85.81 -7.28 58.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 41.399999999999999 110.924 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.498 HG13 ' HB3' ' A' ' 16' ' ' LEU . 5.3 t 69.95 48.78 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 71.439999999999998 111.125 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.43 167.11 26.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 73.310000000000002 110.871 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.459 HD21 ' SD ' ' A' ' 46' ' ' MET . 3.3 mp -125.38 100.3 6.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 71.219999999999999 110.965 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 m -99.92 176.52 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.116 -0.493 . . . . 72.400000000000006 111.177 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.451 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.2 pm0 -108.03 110.92 22.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 73.519999999999996 110.93 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.734 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -168.89 170.13 9.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 73.409999999999997 110.83 -179.795 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -128.54 116.37 19.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 71.219999999999999 110.926 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -156.04 169.56 24.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.499 . . . . 62.329999999999998 110.888 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.9 157.83 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 64.140000000000001 111.082 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -168.27 141.45 3.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 60.25 111.12 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.58 -24.93 68.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 63.549999999999997 110.89 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.593 ' HB3' ' HD1' ' A' ' 30' ' ' TYR . . . -139.56 124.21 18.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 60.229999999999997 111.083 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 77.6 m -108.54 129.4 55.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 73.239999999999995 111.109 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.629 HD21 HG22 ' A' ' 99' ' ' ILE . 0.8 OUTLIER -127.41 114.41 17.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 42.200000000000003 110.899 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -104.39 132.2 50.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 74.439999999999998 111.138 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.7 mtt -155.68 144.4 20.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 74.319999999999993 110.869 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -78.95 161.33 26.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 74.439999999999998 110.895 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.05 -59.09 3.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 75.340000000000003 110.853 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -51.35 -36.48 43.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.019999999999996 110.846 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.4 mm -70.69 -32.6 49.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 73.310000000000002 111.102 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.601 ' HG3' HG11 ' A' ' 8' ' ' VAL . 1.7 tpt -62.49 -47.2 85.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 75.0 110.874 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -67.24 -32.03 72.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 63.32 110.876 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.65 -60.15 2.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 72.109999999999999 111.152 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.9 mm -63.22 -43.63 98.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 62.020000000000003 111.129 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.62 ' O ' HD12 ' A' ' 109' ' ' LEU . . . -52.06 -36.06 42.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 54.009999999999998 112.517 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.7 p -97.29 0.43 48.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.343 . . . . 74.329999999999998 111.129 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 68.41 33.22 76.79 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.786 -0.721 . . . . 72.340000000000003 112.454 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.72 -43.83 16.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 51.420000000000002 111.137 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 28.4 mt -106.54 144.76 29.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.714 . . . . 75.140000000000001 110.917 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 120.25 7.07 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.668 2.246 . . . . 72.450000000000003 112.326 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.474 ' O ' ' HE3' ' A' ' 85' ' ' MET . . . -59.53 -33.67 71.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 35.219999999999999 111.115 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.11 -57.01 4.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 64.019999999999996 110.895 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -44.87 93.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 73.200000000000003 110.852 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.07 -52.75 40.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 63.32 111.128 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.474 ' HE3' ' O ' ' A' ' 81' ' ' ALA . 4.4 mtt -74.16 -26.84 60.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 72.329999999999998 110.783 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.9 -32.06 71.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 44.200000000000003 111.072 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.22 27.51 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 63.450000000000003 110.951 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 46.46 29.55 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 74.430000000000007 110.903 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -94.26 2.01 55.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 64.209999999999994 110.917 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.9 mtm -154.32 148.71 26.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 63.100000000000001 110.876 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -120.49 108.55 14.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 65.450000000000003 110.856 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.4 p -123.25 140.03 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 74.540000000000006 111.125 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -132.71 113.64 13.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.473 . . . . 71.329999999999998 110.835 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.8 167.36 27.36 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 62.439999999999998 112.447 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.17 119.36 6.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.832 0.349 . . . . 74.109999999999999 110.904 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.3 t -42.67 -45.74 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 73.329999999999998 111.149 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.08 -48.97 79.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 74.25 110.847 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.74 ' HA ' HD12 ' A' ' 101' ' ' LEU . 61.0 mt -48.6 -54.36 14.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 75.129999999999995 110.94 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.629 HG22 HD21 ' A' ' 64' ' ' LEU . 46.9 pt -69.67 -29.12 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 70.209999999999994 111.114 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -70.06 -16.29 63.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 72.329999999999998 110.839 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' A' ' 98' ' ' LEU . 10.4 mt -76.16 -33.32 59.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 65.230000000000004 110.943 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.469 HD23 ' HA1' ' A' ' 200' ' ' PLM . 6.7 mp -82.73 -12.97 57.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 74.319999999999993 110.956 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.623 ' HA ' HD12 ' A' ' 106' ' ' ILE . 25.6 mt-10 -58.57 -55.0 50.45 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.66 0.743 . . . . 63.229999999999997 110.876 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 54.2 Cg_endo -69.74 -10.09 27.72 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.719 2.279 . . . . 73.129999999999995 112.296 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -94.4 -17.75 22.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 74.430000000000007 110.902 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.675 HD11 ' HE1' ' A' ' 200' ' ' PLM . 19.8 mt -55.58 -48.01 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 75.540000000000006 111.108 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.73 -35.92 56.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 64.219999999999999 111.131 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.0 t -51.69 -28.76 15.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 64.310000000000002 110.837 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.662 HD22 ' HB3' ' A' ' 11' ' ' LYS . 8.6 mt -80.49 170.27 16.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 61.520000000000003 110.933 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.5 mttm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 61.549999999999997 110.931 179.815 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 200' ' ' PLM . . . . . 0.675 ' HE1' HD11 ' A' ' 106' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.833 0.349 . . . . 63.32 110.897 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.3 p -53.23 148.98 7.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 54.229999999999997 110.832 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.3 mt -74.28 128.43 35.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 75.019999999999996 110.934 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -47.65 -48.99 28.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 74.230000000000004 110.897 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.69 -32.3 1.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 54.530000000000001 110.823 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -54.45 -47.91 72.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.475 . . . . 71.010000000000005 110.853 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -55.16 -39.43 69.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 65.439999999999998 110.938 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.607 HG21 ' HA ' ' A' ' 72' ' ' PHE . 31.0 t -58.32 -57.1 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 74.299999999999997 111.134 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -48.75 -41.85 33.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 72.030000000000001 110.819 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.56 -47.98 83.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 71.400000000000006 111.121 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.07 -49.27 69.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 75.319999999999993 110.908 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.441 HG23 ' C8 ' ' A' ' 200' ' ' PLM . 20.4 mt -54.91 -43.14 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.530000000000001 111.142 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.27 -53.57 28.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 65.530000000000001 111.167 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.9 tttt -54.82 -32.22 60.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 74.230000000000004 110.86 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.47 -35.03 75.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 74.549999999999997 110.822 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.732 HD21 ' H62' ' A' ' 200' ' ' PLM . 66.9 mt -60.7 -33.47 72.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 71.150000000000006 110.846 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.518 ' HA ' HG11 ' A' ' 51' ' ' VAL . 70.3 mt-10 -63.47 -17.14 62.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 73.030000000000001 110.916 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.1 m -77.04 -42.26 39.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 62.030000000000001 110.837 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.668 HD12 ' HA ' ' A' ' 16' ' ' LEU . 8.0 mt -48.29 104.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 72.510000000000005 111.127 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.41 145.72 99.03 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.664 0.745 . . . . 72.219999999999999 110.87 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.76 -20.71 34.46 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.638 2.225 . . . . 73.519999999999996 112.295 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.64 5.36 39.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 74.400000000000006 111.097 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -165.14 104.79 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 71.219999999999999 110.903 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.0 mmm-85 -99.25 -168.27 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 73.040000000000006 110.857 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -155.21 82.72 1.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 73.400000000000006 110.868 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.43 HG11 HD23 ' A' ' 98' ' ' LEU . 40.6 t 60.55 95.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 62.439999999999998 111.16 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.28 126.26 32.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 64.430000000000007 110.91 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.701 ' CD2' HD22 ' A' ' 98' ' ' LEU . 11.0 p-80 -169.76 179.19 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 70.019999999999996 110.821 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.9 t -126.16 138.51 54.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 54.229999999999997 111.176 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.726 ' OH ' HD11 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -136.3 149.02 48.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 71.040000000000006 110.908 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -105.69 148.96 26.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 74.420000000000002 110.867 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.11 146.54 45.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.129999999999995 110.885 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.6 mtt180 -128.61 127.78 42.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 75.140000000000001 110.892 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.603 ' O ' HG12 ' A' ' 41' ' ' VAL . 47.4 mm -116.11 98.47 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 73.200000000000003 111.144 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 40' ' ' VAL . 1.4 p -82.87 139.84 33.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 73.349999999999994 111.193 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.584 HE21 HG21 ' A' ' 41' ' ' VAL . 15.0 mt-30 -151.24 104.75 3.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 63.409999999999997 110.916 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.46 11.24 31.66 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 64.450000000000003 112.485 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.0 -14.03 48.98 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 74.120000000000005 112.48 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -139.02 161.06 38.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.377 . . . . 62.520000000000003 110.853 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.436 ' HA ' ' HA ' ' A' ' 35' ' ' THR . 8.4 p -58.08 128.34 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 63.310000000000002 111.112 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 34' ' ' ILE . 2.0 p -94.48 -27.92 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 44.340000000000003 111.165 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.34 153.36 1.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 64.319999999999993 110.907 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -95.52 158.18 15.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 72.109999999999999 110.883 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.41 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.7 OUTLIER -133.64 145.42 49.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 73.329999999999998 110.871 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 56' ' ' SER . 31.1 t -129.27 138.34 54.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 60.539999999999999 111.141 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.7 99.55 10.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 72.040000000000006 110.902 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.99 94.6 7.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 72.400000000000006 110.873 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.726 HD11 ' OH ' ' A' ' 30' ' ' TYR . 16.3 mt -83.91 -3.12 57.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 74.540000000000006 110.875 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -85.49 -55.19 4.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 64.209999999999994 110.885 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -88.22 -6.12 58.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 41.399999999999999 110.852 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.647 HG13 ' HB3' ' A' ' 16' ' ' LEU . 5.5 t 70.75 49.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 71.439999999999998 111.115 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -148.51 163.72 36.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 73.310000000000002 110.918 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.5 mp -120.75 100.95 7.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 71.219999999999999 110.949 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 m -97.37 175.75 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 72.400000000000006 111.141 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.4 pm0 -109.69 113.36 26.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 73.519999999999996 110.876 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.72 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -168.23 165.23 13.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 73.409999999999997 110.835 -179.784 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -122.09 116.5 24.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 71.219999999999999 110.872 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.23 166.3 33.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 62.329999999999998 110.893 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.74 159.67 0.36 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.448 . . . . 64.140000000000001 111.083 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.633 ' HB1' ' HA ' ' A' ' 30' ' ' TYR . . . -168.73 140.21 2.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 60.25 111.098 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -63.96 -14.99 58.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 63.549999999999997 110.862 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -147.08 124.18 11.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 60.229999999999997 111.114 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 41.8 m -100.09 128.95 46.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 73.239999999999995 111.138 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.67 139.16 52.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 42.200000000000003 110.944 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.711 HG22 ' O ' ' A' ' 91' ' ' GLU . 1.2 t -138.15 136.03 36.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.43 . . . . 74.439999999999998 111.137 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.513 ' HG3' ' HG2' ' A' ' 90' ' ' MET . 0.0 OUTLIER -157.07 142.67 17.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 74.319999999999993 110.879 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -76.1 159.76 30.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 74.439999999999998 110.865 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.98 -59.18 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 75.340000000000003 110.879 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -53.09 -37.83 62.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 74.019999999999996 110.813 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.8 mm -65.54 -46.09 90.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 73.310000000000002 111.14 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.55 ' HG3' HG11 ' A' ' 8' ' ' VAL . 62.6 tpp -51.11 -44.55 61.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 75.0 110.907 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.607 ' HA ' HG21 ' A' ' 8' ' ' VAL . 56.1 t80 -66.97 -30.92 71.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 63.32 110.907 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.73 -59.33 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.067 -0.515 . . . . 72.109999999999999 111.148 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 57.2 mt -66.28 -45.54 89.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 62.020000000000003 111.158 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.29 -39.67 51.7 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 54.009999999999998 112.559 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 46.0 p -93.03 8.67 38.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 74.329999999999998 111.125 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.53 24.0 51.1 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.796 -0.716 . . . . 72.340000000000003 112.493 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.4 -39.28 81.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 51.420000000000002 111.127 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.5 mt -121.15 152.75 57.45 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.627 0.727 . . . . 75.140000000000001 110.901 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 126.47 13.37 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.676 2.25 . . . . 72.450000000000003 112.351 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.456 ' HB1' ' HE1' ' A' ' 85' ' ' MET . . . -63.45 -28.37 69.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 35.219999999999999 111.083 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -71.15 -57.0 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 64.019999999999996 110.905 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.45 -43.9 93.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 73.200000000000003 110.834 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.93 -52.35 43.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 63.32 111.161 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.456 ' HE1' ' HB1' ' A' ' 81' ' ' ALA . 6.1 mtt -75.23 -26.65 59.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 72.329999999999998 110.9 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.75 -33.88 70.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 44.200000000000003 111.054 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -87.45 27.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 63.450000000000003 110.933 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 46.56 29.57 0.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 74.430000000000007 110.858 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.43 ' O ' ' HG3' ' A' ' 90' ' ' MET . 3.0 mttt -90.05 3.43 53.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 64.209999999999994 110.919 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.513 ' HG2' ' HG3' ' A' ' 66' ' ' MET . 3.5 mtm -154.58 147.09 24.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 63.100000000000001 110.858 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.711 ' O ' HG22 ' A' ' 65' ' ' THR . 5.4 mm-40 -116.59 108.43 15.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 65.450000000000003 110.87 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.7 p -124.85 137.67 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 74.540000000000006 111.163 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -132.44 112.64 12.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 71.329999999999998 110.888 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.47 167.66 27.47 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.712 -0.756 . . . . 62.439999999999998 112.509 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.64 118.09 3.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.846 0.355 . . . . 74.109999999999999 110.915 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 83.7 t -42.55 -44.17 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 73.329999999999998 111.116 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.86 -50.07 75.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 74.25 110.892 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.701 HD22 ' CD2' ' A' ' 28' ' ' HIS . 75.0 mt -48.1 -54.07 14.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 75.129999999999995 110.91 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.1 pt -71.51 -23.39 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 70.209999999999994 111.103 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -75.32 -14.15 60.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 72.329999999999998 110.819 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.63 -34.13 60.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 65.230000000000004 110.892 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.501 HD23 ' HA1' ' A' ' 200' ' ' PLM . 7.6 mp -85.77 -7.33 58.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 74.319999999999993 110.913 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.635 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 15.7 mt-10 -64.88 -52.42 50.1 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.655 0.74 . . . . 63.229999999999997 110.894 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.9 Cg_endo -69.69 -8.35 23.38 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.708 2.272 . . . . 73.129999999999995 112.381 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -97.41 -17.37 19.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 74.430000000000007 110.853 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.633 HD11 ' HE1' ' A' ' 200' ' ' PLM . 21.8 mt -53.64 -48.22 60.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 75.540000000000006 111.122 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.98 -37.65 71.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.481 . . . . 64.219999999999999 111.055 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.16 -26.31 6.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 64.310000000000002 110.858 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.433 HD11 HG12 ' A' ' 12' ' ' ILE . 7.7 mt -82.95 171.17 14.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 61.520000000000003 110.871 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.7 mttm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 61.549999999999997 110.887 179.834 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 200' ' ' PLM . . . . . 0.732 ' H62' HD21 ' A' ' 16' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 ptp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.724 0.297 . . . . 63.32 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.32 134.97 34.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 54.229999999999997 110.871 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.1 mt -81.03 176.94 9.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 75.019999999999996 110.935 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.6 mmpt? -70.59 -60.84 2.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 74.230000000000004 110.886 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.48 -32.62 1.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 54.530000000000001 110.913 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -54.03 -49.84 68.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.495 . . . . 71.010000000000005 110.924 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -52.67 -38.14 59.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 65.439999999999998 110.933 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.685 HG11 ' HG3' ' A' ' 71' ' ' MET . 67.3 t -50.81 -61.47 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 74.299999999999997 111.141 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -49.94 -47.83 52.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 72.030000000000001 110.858 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.29 91.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 71.400000000000006 111.134 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.4 ' HB2' HD23 ' A' ' 109' ' ' LEU . 8.7 mmpt? -57.0 -52.57 64.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 75.319999999999993 110.904 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.769 HG23 ' H82' ' A' ' 200' ' ' PLM . 67.3 mt -53.85 -58.2 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 74.530000000000001 111.131 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.27 -51.61 43.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 65.530000000000001 111.132 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -55.48 -32.43 62.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 74.230000000000004 110.919 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.95 -35.48 72.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 74.549999999999997 110.818 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.653 ' HB3' HD12 ' A' ' 19' ' ' ILE . 6.6 mt -66.37 -19.87 65.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 71.150000000000006 110.896 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -54.81 -23.82 19.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 73.030000000000001 110.832 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.36 -23.99 34.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 62.030000000000001 110.9 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.751 HG23 ' CZ ' ' A' ' 24' ' ' ARG . 84.1 mt -49.29 104.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 72.510000000000005 111.101 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.08 143.19 27.48 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.596 0.712 . . . . 72.219999999999999 110.856 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -13.89 35.14 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.683 2.255 . . . . 73.519999999999996 112.285 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.32 -8.44 56.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 74.400000000000006 111.095 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -171.69 103.79 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 71.219999999999999 110.897 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.751 ' CZ ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -122.74 173.91 7.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 73.040000000000006 110.857 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -123.32 -55.87 1.74 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 73.400000000000006 110.887 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.647 HG11 HD23 ' A' ' 98' ' ' LEU . 30.8 t -153.1 115.44 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 62.439999999999998 111.126 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -108.08 125.24 51.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.146 -0.479 . . . . 64.430000000000007 110.839 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -170.36 175.54 4.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.067 -0.515 . . . . 70.019999999999996 110.916 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.1 t -93.14 134.13 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 54.229999999999997 111.072 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -123.98 141.77 51.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 71.040000000000006 110.939 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -106.94 137.94 44.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 74.420000000000002 110.876 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -129.01 117.97 21.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 73.129999999999995 110.917 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.523 ' CB ' HG23 ' A' ' 65' ' ' THR . 0.0 OUTLIER -97.81 135.36 39.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 75.140000000000001 110.854 -179.889 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.4 HD12 ' HE3' ' A' ' 71' ' ' MET . 20.4 mm -112.29 90.73 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 73.200000000000003 111.071 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.763 HG22 HG22 ' A' ' 40' ' ' VAL . 11.0 p -99.62 169.6 9.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 73.349999999999994 111.187 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -135.25 98.66 4.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 63.409999999999997 110.931 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.2 -46.2 2.23 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.744 -0.741 . . . . 64.450000000000003 112.448 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 178.46 -30.08 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.793 -0.718 . . . . 74.120000000000005 112.513 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.02 140.95 30.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 62.520000000000003 110.88 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.763 HG22 HG22 ' A' ' 35' ' ' THR . 58.8 t -73.48 141.32 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 63.310000000000002 111.189 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.2 m -120.28 -26.45 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 44.340000000000003 111.096 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.73 146.73 14.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 64.319999999999993 110.862 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.14 156.28 17.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 72.109999999999999 110.859 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.436 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -141.87 149.84 40.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 73.329999999999998 110.883 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.643 HG23 ' CG2' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -129.44 142.42 43.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 60.539999999999999 111.135 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.452 ' SD ' HD21 ' A' ' 53' ' ' LEU . 1.1 tpp -100.26 106.63 18.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 72.040000000000006 110.877 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.38 84.61 6.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 72.400000000000006 110.88 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.21 -13.55 60.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 74.540000000000006 110.988 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.25 -51.29 8.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 64.209999999999994 110.877 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -85.19 -6.43 59.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 41.399999999999999 110.887 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.454 HG12 ' HB2' ' A' ' 16' ' ' LEU . 3.1 t 67.64 43.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 71.439999999999998 111.126 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.23 168.16 24.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 73.310000000000002 110.868 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.452 HD21 ' SD ' ' A' ' 46' ' ' MET . 4.8 mp -118.78 136.58 53.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 71.219999999999999 110.934 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.643 ' CG2' HG23 ' A' ' 45' ' ' VAL . 3.1 m -136.86 165.85 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 72.400000000000006 111.158 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.436 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.2 pm0 -99.5 106.46 18.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 73.519999999999996 110.921 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.407 ' N ' HG22 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -167.72 163.6 14.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 73.409999999999997 110.873 -179.807 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.93 117.29 23.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 71.219999999999999 110.897 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.485 ' OD2' HG11 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -146.01 161.92 39.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 62.329999999999998 110.849 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.72 91.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 64.140000000000001 111.144 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.03 150.16 20.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 60.25 111.07 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -22.32 66.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 63.549999999999997 110.915 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.7 124.1 18.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 60.229999999999997 111.091 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.5 m -102.92 127.86 49.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 73.239999999999995 111.084 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.654 HD21 HG22 ' A' ' 99' ' ' ILE . 1.1 mp -124.21 108.64 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 42.200000000000003 110.936 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.523 HG23 ' CB ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -102.9 129.73 49.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 74.439999999999998 111.161 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.786 ' HG2' HG21 ' A' ' 70' ' ' ILE . 3.5 mtm -156.97 157.45 34.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 74.319999999999993 110.902 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -86.78 157.99 19.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 74.439999999999998 110.879 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.63 -56.37 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 75.340000000000003 110.862 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.79 -41.38 57.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 74.019999999999996 110.879 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.786 HG21 ' HG2' ' A' ' 66' ' ' MET . 15.1 mm -62.08 -41.78 92.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 73.310000000000002 111.135 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.685 ' HG3' HG11 ' A' ' 8' ' ' VAL . 3.1 tpp -51.74 -44.12 63.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.204 -0.453 . . . . 75.0 110.922 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.658 ' O ' HG22 ' A' ' 76' ' ' THR . 41.0 t80 -70.38 -30.47 67.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 63.32 110.903 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.06 -59.97 2.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.11 -0.495 . . . . 72.109999999999999 111.116 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.2 mt -72.02 -35.58 54.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 62.020000000000003 111.109 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.424 ' O ' HD22 ' A' ' 109' ' ' LEU . . . -48.74 -41.64 27.46 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.655 -0.783 . . . . 54.009999999999998 112.555 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.658 HG22 ' O ' ' A' ' 72' ' ' PHE . 3.8 t -101.47 7.57 42.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.343 . . . . 74.329999999999998 111.154 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.79 34.05 88.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 72.340000000000003 112.521 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.57 -41.51 54.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.331 . . . . 51.420000000000002 111.063 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.3 mt -115.19 157.75 42.89 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.643 0.735 . . . . 75.140000000000001 110.855 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.69 106.78 1.71 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.691 2.261 . . . . 72.450000000000003 112.406 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.48 ' HB1' ' HE3' ' A' ' 85' ' ' MET . . . -56.05 -28.77 58.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 35.219999999999999 111.096 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -49.77 42.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 64.019999999999996 110.864 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.32 -44.39 95.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 73.200000000000003 110.893 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.62 -52.29 48.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 63.32 111.115 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.48 ' HE3' ' HB1' ' A' ' 81' ' ' ALA . 7.9 mtt -74.61 -26.62 60.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 72.329999999999998 110.827 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.87 -29.69 70.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 44.200000000000003 111.108 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -88.06 28.18 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 63.450000000000003 110.878 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 47.27 28.3 1.01 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.431 . . . . 74.430000000000007 110.816 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.91 1.66 56.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 64.209999999999994 110.83 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.9 mtm -152.25 147.73 26.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 63.100000000000001 110.853 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -121.43 108.48 13.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 65.450000000000003 110.903 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 63.6 t -121.05 139.62 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 74.540000000000006 111.159 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -132.86 113.4 12.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 71.329999999999998 110.881 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.93 167.93 28.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 62.439999999999998 112.454 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.494 ' CB ' HD12 ' A' ' 98' ' ' LEU . 13.2 tp60 -54.48 116.51 2.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 74.109999999999999 110.869 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 64.5 t -42.93 -46.98 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 73.329999999999998 111.094 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -57.8 -49.83 75.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 74.25 110.874 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.647 HD23 HG11 ' A' ' 26' ' ' VAL . 65.1 mt -48.46 -54.12 15.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 75.129999999999995 110.944 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.654 HG22 HD21 ' A' ' 64' ' ' LEU . 46.2 pt -71.06 -26.11 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 70.209999999999994 111.083 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -76.11 -15.84 60.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 72.329999999999998 110.847 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.562 HD13 ' HB ' ' A' ' 26' ' ' VAL . 13.9 mt -75.76 -33.54 60.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 65.230000000000004 110.915 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.579 HD23 ' HA1' ' A' ' 200' ' ' PLM . 6.3 mp -83.1 -11.32 58.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 74.319999999999993 110.926 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.717 ' HA ' HD12 ' A' ' 106' ' ' ILE . 17.5 mt-10 -60.84 -53.48 63.71 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.645 0.736 . . . . 63.229999999999997 110.854 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 54.7 Cg_endo -69.72 -10.16 27.9 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.664 2.242 . . . . 73.129999999999995 112.403 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -96.85 -16.2 20.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 74.430000000000007 110.894 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.774 HD11 ' HE1' ' A' ' 200' ' ' PLM . 19.8 mt -57.13 -41.58 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 75.540000000000006 111.11 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.34 -39.58 70.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 64.219999999999999 111.122 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.1 t -50.99 -28.92 10.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 64.310000000000002 110.862 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.676 HD21 ' CG1' ' A' ' 12' ' ' ILE . 7.0 mp -76.57 170.85 15.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 61.520000000000003 110.985 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 61.549999999999997 110.901 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 200' ' ' PLM . . . . . 0.774 ' HE1' HD11 ' A' ' 106' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mmt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.838 0.351 . . . . 63.32 110.87 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.96 113.52 2.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 54.229999999999997 110.912 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.437 HD23 ' H ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -106.76 178.94 4.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.515 . . . . 75.019999999999996 110.874 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -58.85 3.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 74.230000000000004 110.912 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.409 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 0.8 OUTLIER -43.81 -30.89 0.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 54.530000000000001 110.898 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -53.49 -48.8 68.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.08 -0.509 . . . . 71.010000000000005 110.86 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -50.29 -37.59 37.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 65.439999999999998 110.905 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.617 HG21 ' HA ' ' A' ' 72' ' ' PHE . 72.7 t -57.97 -60.28 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 74.299999999999997 111.1 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -48.73 -49.16 39.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 72.030000000000001 110.892 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.15 -41.1 97.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 71.400000000000006 111.092 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -61.81 -52.77 62.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 75.319999999999993 110.913 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.639 HG23 ' C8 ' ' A' ' 200' ' ' PLM . 54.2 mt -54.26 -49.04 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 74.530000000000001 111.097 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.816 ' HA ' HD23 ' A' ' 16' ' ' LEU . . . -63.54 -54.14 40.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 65.530000000000001 111.048 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -55.54 -28.16 53.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 74.230000000000004 110.867 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.509 ' HG2' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -77.43 -36.38 53.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 74.549999999999997 110.948 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.816 HD23 ' HA ' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -71.24 -19.78 62.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 71.150000000000006 110.927 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 13' ' ' ALA . 60.7 mt-10 -87.95 -10.22 51.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 73.030000000000001 110.876 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 m -74.05 -41.15 62.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 62.030000000000001 110.892 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.581 HG22 ' HD2' ' A' ' 24' ' ' ARG . 2.3 mp -47.88 104.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 72.510000000000005 111.112 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.56 144.34 72.7 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 121.64 0.733 . . . . 72.219999999999999 110.942 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -11.36 30.73 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.241 . . . . 73.519999999999996 112.406 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.91 -4.9 54.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 74.400000000000006 111.059 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -173.83 104.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 71.219999999999999 110.914 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.581 ' HD2' HG22 ' A' ' 19' ' ' ILE . 48.9 mmm-85 -102.94 -170.73 1.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 73.040000000000006 110.822 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.85 -78.78 0.6 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 73.400000000000006 110.92 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.8 t -137.66 122.26 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 62.439999999999998 111.159 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -110.56 126.71 54.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 64.430000000000007 110.913 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -167.77 175.58 6.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 70.019999999999996 110.828 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.0 t -96.24 124.58 49.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 54.229999999999997 111.12 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.595 ' HD1' ' HB3' ' A' ' 62' ' ' ALA . 35.6 m-85 -122.77 155.0 37.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 71.040000000000006 110.935 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -120.67 136.31 54.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 74.420000000000002 110.86 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.64 119.28 26.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 73.129999999999995 110.861 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.544 ' HB2' HG23 ' A' ' 65' ' ' THR . 0.3 OUTLIER -98.42 132.8 43.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 75.140000000000001 110.835 -179.831 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.534 ' O ' HG22 ' A' ' 41' ' ' VAL . 33.2 mm -114.73 114.06 45.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 73.200000000000003 111.224 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.595 HG22 HG22 ' A' ' 40' ' ' VAL . 57.9 p -111.05 141.04 45.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 73.349999999999994 111.041 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.74 99.35 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 63.409999999999997 110.969 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 123.53 -7.54 9.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.729 . . . . 64.450000000000003 112.477 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.21 -26.79 3.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.781 -0.723 . . . . 74.120000000000005 112.454 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.48 161.74 37.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.377 . . . . 62.520000000000003 110.835 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.595 HG22 HG22 ' A' ' 35' ' ' THR . 72.6 t -58.68 133.22 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 63.310000000000002 111.111 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.534 HG22 ' O ' ' A' ' 34' ' ' ILE . 2.5 m -90.33 -33.74 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 44.340000000000003 111.105 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.76 147.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 64.319999999999993 110.922 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.0 162.13 17.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 72.109999999999999 110.803 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.552 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 1.0 OUTLIER -137.63 149.48 46.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 73.329999999999998 110.934 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 56' ' ' SER . 32.3 t -124.2 138.44 53.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 60.539999999999999 111.133 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.605 ' HG3' HD21 ' A' ' 53' ' ' LEU . 2.2 ttm -100.35 97.2 7.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 72.040000000000006 110.85 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -77.73 78.47 4.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 72.400000000000006 110.892 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.513 HD12 ' O1 ' ' A' ' 200' ' ' PLM . 1.0 OUTLIER -74.96 -14.18 60.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 74.540000000000006 110.95 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.82 -47.9 15.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 64.209999999999994 110.909 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.427 ' C ' HG23 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -90.89 -2.71 57.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 41.399999999999999 110.881 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.654 ' C ' HD11 ' A' ' 16' ' ' LEU . 2.8 t 69.2 47.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 71.439999999999998 111.094 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.75 168.0 24.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 73.310000000000002 110.915 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.745 HD12 ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -131.3 101.57 5.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 71.219999999999999 110.929 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 m -102.36 173.27 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 72.400000000000006 111.163 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.552 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -106.82 112.75 25.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 73.519999999999996 110.837 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.681 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -167.15 166.52 14.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 73.409999999999997 110.86 -179.764 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.88 117.61 24.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 71.219999999999999 110.879 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.4 162.47 40.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 62.329999999999998 110.882 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.99 92.98 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 64.140000000000001 111.075 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.51 151.28 19.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 60.25 111.124 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -64.35 -19.78 65.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 63.549999999999997 110.928 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.595 ' HB3' ' HD1' ' A' ' 30' ' ' TYR . . . -141.2 124.28 16.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 60.229999999999997 111.139 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 83.8 m -104.84 129.45 53.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 73.239999999999995 111.137 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.48 113.84 19.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 42.200000000000003 110.936 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.544 HG23 ' HB2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -108.55 128.31 54.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 74.439999999999998 111.171 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.594 ' HG2' HG21 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -159.78 152.95 21.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.319999999999993 110.868 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.445 ' O ' ' HB ' ' A' ' 70' ' ' ILE . 1.9 mm-40 -80.61 163.31 23.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 74.439999999999998 110.854 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.499 ' HA ' ' HE3' ' A' ' 71' ' ' MET . 0.4 OUTLIER -55.24 -55.15 34.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 75.340000000000003 110.8 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.19 -37.86 72.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 74.019999999999996 110.852 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.594 HG21 ' HG2' ' A' ' 66' ' ' MET . 14.4 mm -52.64 -46.58 49.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 73.310000000000002 111.168 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.499 ' HE3' ' HA ' ' A' ' 68' ' ' ASP . 4.1 ptp -52.02 -33.8 40.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 75.0 110.911 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.617 ' HA ' HG21 ' A' ' 8' ' ' VAL . 25.4 t80 -71.26 -30.59 66.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 63.32 110.874 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.27 -60.73 2.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 72.109999999999999 111.179 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.424 HD11 ' SD ' ' A' ' 90' ' ' MET . 77.5 mt -70.09 -45.35 76.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 62.020000000000003 111.166 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -51.11 -41.08 45.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.732 . . . . 54.009999999999998 112.503 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 32.8 p -88.69 -5.43 58.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 74.329999999999998 111.154 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.75 13.57 82.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.807 -0.711 . . . . 72.340000000000003 112.431 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.06 -41.67 79.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 51.420000000000002 111.046 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.26 148.63 58.49 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.555 0.693 . . . . 75.140000000000001 110.929 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 130.19 18.95 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.655 2.237 . . . . 72.450000000000003 112.445 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.433 ' HB1' ' CE ' ' A' ' 85' ' ' MET . . . -61.75 -27.89 69.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 35.219999999999999 111.061 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -56.96 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 64.019999999999996 110.871 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -44.27 84.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 73.200000000000003 110.882 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.79 -52.82 37.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 63.32 111.057 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.433 ' CE ' ' HB1' ' A' ' 81' ' ' ALA . 5.0 mtm -72.77 -26.74 61.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 72.329999999999998 110.928 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.43 -33.39 73.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 44.200000000000003 111.155 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -85.74 27.88 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 63.450000000000003 110.933 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 46.93 28.79 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 74.430000000000007 110.856 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -93.07 0.75 57.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 64.209999999999994 110.887 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.424 ' SD ' HD11 ' A' ' 74' ' ' ILE . 2.5 mtm -148.55 143.54 26.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 63.100000000000001 110.826 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -116.94 108.85 16.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 65.450000000000003 110.939 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.9 p -130.15 138.51 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 74.540000000000006 111.166 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -131.75 113.56 13.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 71.329999999999998 110.858 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.16 167.92 28.58 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.763 -0.732 . . . . 62.439999999999998 112.501 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.539 ' CB ' HD12 ' A' ' 98' ' ' LEU . 13.2 tp60 -54.46 119.31 5.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.832 0.348 . . . . 74.109999999999999 110.908 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.0 t -42.78 -48.5 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 73.329999999999998 111.12 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -58.02 -50.5 73.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 74.25 110.911 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.706 ' HA ' HD12 ' A' ' 101' ' ' LEU . 54.1 mt -48.29 -54.21 14.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.144 -0.48 . . . . 75.129999999999995 110.926 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 36.2 pt -71.24 -25.03 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 70.209999999999994 111.1 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -72.72 -12.09 60.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 72.329999999999998 110.882 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' A' ' 98' ' ' LEU . 6.1 mt -75.73 -35.07 60.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 65.230000000000004 110.852 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.587 HD11 ' H61' ' A' ' 200' ' ' PLM . 4.7 mp -85.07 -7.7 58.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 74.319999999999993 110.902 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.672 ' HA ' HD12 ' A' ' 106' ' ' ILE . 13.9 mt-10 -63.9 -53.5 48.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.622 0.725 . . . . 63.229999999999997 110.803 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.617 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.8 Cg_endo -69.7 -8.43 23.58 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.67 2.247 . . . . 73.129999999999995 112.405 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -96.56 -17.1 20.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 74.430000000000007 110.945 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.76 HD11 ' HE1' ' A' ' 200' ' ' PLM . 17.4 mt -57.57 -43.37 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.059 -0.519 . . . . 75.540000000000006 111.142 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.9 87.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 64.219999999999999 111.142 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.1 -24.42 3.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 64.310000000000002 110.824 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.509 HD23 ' HG2' ' A' ' 15' ' ' ARG . 13.3 mt -76.33 171.03 15.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 61.520000000000003 110.946 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 61.549999999999997 110.899 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 200' ' ' PLM . . . . . 0.76 ' HE1' HD11 ' A' ' 106' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.4 ptm . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.793 0.33 . . . . 63.32 110.853 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -114.73 122.42 46.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 54.229999999999997 110.784 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.528 HD21 ' OD2' ' A' ' 68' ' ' ASP . 0.3 OUTLIER -57.01 179.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 75.019999999999996 110.909 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.57 -34.93 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 74.230000000000004 110.876 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.469 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 6.5 p -44.31 -29.62 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 54.530000000000001 110.849 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -53.91 -44.13 70.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 71.010000000000005 110.905 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -52.85 -36.4 58.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 65.439999999999998 110.882 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.636 HG11 ' HG3' ' A' ' 71' ' ' MET . 25.3 t -55.3 -60.5 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 74.299999999999997 111.107 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -49.83 -45.08 49.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 72.030000000000001 110.885 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.33 92.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 71.400000000000006 111.058 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.32 -51.05 70.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 75.319999999999993 110.913 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.536 HG23 ' H82' ' A' ' 200' ' ' PLM . 75.9 mt -58.77 -35.53 56.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 74.530000000000001 111.193 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.74 ' HA ' HD23 ' A' ' 16' ' ' LEU . . . -71.19 -55.14 8.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 65.530000000000001 111.089 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -55.08 -30.23 59.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.230000000000004 110.902 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.679 ' HG2' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -78.0 -34.29 50.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 74.549999999999997 110.908 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.74 HD23 ' HA ' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -78.84 -30.27 45.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 71.150000000000006 110.873 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 13' ' ' ALA . 40.7 mt-10 -64.52 -23.71 67.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 73.030000000000001 110.871 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.43 -21.72 59.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 62.030000000000001 110.843 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.731 HD13 ' H31' ' A' ' 200' ' ' PLM . 44.5 mt -52.78 104.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 72.510000000000005 111.122 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.61 143.47 54.91 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.579 0.704 . . . . 72.219999999999999 110.844 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -15.03 36.64 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.715 2.277 . . . . 73.519999999999996 112.381 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.96 -5.4 43.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 74.400000000000006 111.112 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -170.05 104.47 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 71.219999999999999 110.904 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.2 mmm-85 -111.56 -170.06 1.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 73.040000000000006 110.839 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -131.11 -85.65 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 73.400000000000006 110.896 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.536 HG12 ' CD2' ' A' ' 28' ' ' HIS . 2.8 t -126.11 116.56 46.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 62.439999999999998 111.132 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -93.12 126.19 38.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 64.430000000000007 110.873 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.672 ' O ' HD13 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -169.87 179.82 3.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 70.019999999999996 110.865 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.4 t -132.69 123.23 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 54.229999999999997 111.079 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.797 ' HA ' ' HB1' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -125.26 160.94 28.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 71.040000000000006 110.905 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -106.07 144.37 32.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 74.420000000000002 110.925 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.87 120.38 31.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 73.129999999999995 110.903 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.754 ' HB3' HG23 ' A' ' 65' ' ' THR . 0.0 OUTLIER -99.35 130.57 45.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 75.140000000000001 110.871 -179.885 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.503 ' O ' HG22 ' A' ' 41' ' ' VAL . 43.2 mm -115.36 90.89 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 73.200000000000003 111.051 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 40' ' ' VAL . 3.3 p -83.6 139.46 32.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 73.349999999999994 111.122 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.46 ' HB2' HG11 ' A' ' 41' ' ' VAL . 18.5 mt-30 -151.89 110.19 3.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 63.409999999999997 110.952 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 105.19 11.95 28.44 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 64.450000000000003 112.486 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.59 -18.9 43.33 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.69 -0.767 . . . . 74.120000000000005 112.379 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -139.95 161.29 37.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.881 0.372 . . . . 62.520000000000003 110.847 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.448 ' HA ' ' HA ' ' A' ' 35' ' ' THR . 90.7 t -57.65 136.25 21.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 63.310000000000002 111.106 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 34' ' ' ILE . 12.1 m -113.01 -27.67 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 44.340000000000003 111.07 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.6 138.46 1.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 64.319999999999993 110.911 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.37 163.31 17.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 72.109999999999999 110.942 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.41 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.6 OUTLIER -137.72 145.87 43.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 73.329999999999998 110.892 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 56' ' ' SER . 25.6 t -132.94 138.22 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 60.539999999999999 111.076 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.05 110.15 22.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 72.040000000000006 110.916 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -87.63 91.9 8.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 72.400000000000006 110.778 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.765 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 5.8 mp -79.29 -8.09 58.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 74.540000000000006 110.956 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -82.48 -54.06 5.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 64.209999999999994 110.866 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.463 ' C ' HG23 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -85.93 -4.22 59.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 41.399999999999999 110.876 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.664 HG12 HD12 ' A' ' 16' ' ' LEU . 2.0 t 64.47 46.37 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 71.439999999999998 111.245 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -149.44 150.0 31.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 73.310000000000002 110.914 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.511 HD12 ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -100.54 137.32 39.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 71.219999999999999 110.868 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.4 m -139.91 165.31 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 72.400000000000006 111.12 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -105.09 112.96 26.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 73.519999999999996 110.894 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.832 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -168.61 169.64 10.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 73.409999999999997 110.909 -179.766 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.25 114.66 19.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 71.219999999999999 110.9 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -156.65 167.94 28.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 62.329999999999998 110.878 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.38 157.62 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 64.140000000000001 111.122 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.797 ' HB1' ' HA ' ' A' ' 30' ' ' TYR . . . -167.39 140.58 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 60.25 111.167 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -15.58 59.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 63.549999999999997 110.899 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.639 ' HB2' HD13 ' A' ' 98' ' ' LEU . . . -147.27 124.88 11.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 60.229999999999997 111.092 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 64.7 m -101.82 129.96 48.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 73.239999999999995 111.15 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.06 135.82 52.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.47 . . . . 42.200000000000003 110.925 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.754 HG23 ' HB3' ' A' ' 33' ' ' ARG . 1.7 m -128.38 131.1 48.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 74.439999999999998 111.094 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 34.2 mtt -157.13 147.47 21.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 74.319999999999993 110.865 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -85.05 163.09 19.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 74.439999999999998 110.867 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.528 ' OD2' HD21 ' A' ' 3' ' ' LEU . 0.4 OUTLIER -49.57 -58.44 5.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 75.340000000000003 110.849 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -51.99 -40.97 61.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 74.019999999999996 110.859 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.44 ' HA ' HD13 ' A' ' 70' ' ' ILE . 16.2 mm -58.99 -38.43 73.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 73.310000000000002 111.073 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.636 ' HG3' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -58.92 -42.68 90.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 75.0 110.875 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -71.01 -30.22 66.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 63.32 110.919 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.616 ' HB1' HD21 ' A' ' 79' ' ' LEU . . . -75.84 -59.43 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 72.109999999999999 111.032 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 80.0 mt -71.79 -43.49 69.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 62.020000000000003 111.172 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.56 -40.92 55.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 54.009999999999998 112.473 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 30.7 p -89.4 3.19 53.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.854 0.359 . . . . 74.329999999999998 111.132 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.47 26.31 68.0 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 72.340000000000003 112.435 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.38 -40.72 77.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 51.420000000000002 111.101 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.616 HD21 ' HB1' ' A' ' 73' ' ' ALA . 0.9 OUTLIER -126.61 158.52 67.42 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.646 0.736 . . . . 75.140000000000001 110.924 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 125.54 12.3 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.669 2.246 . . . . 72.450000000000003 112.394 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.66 -26.91 68.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 35.219999999999999 111.088 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -71.1 -56.01 7.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 64.019999999999996 110.899 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.45 -42.42 82.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 73.200000000000003 110.887 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.25 -51.15 56.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 63.32 111.1 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 7.3 mtm -76.14 -26.98 56.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 72.329999999999998 110.907 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.55 -32.51 70.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 44.200000000000003 111.113 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -89.92 28.44 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 63.450000000000003 110.896 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 48.71 28.16 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 74.430000000000007 110.888 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.48 1.01 53.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 64.209999999999994 110.92 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -157.2 151.57 25.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 63.100000000000001 110.854 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -120.72 108.41 13.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 65.450000000000003 110.916 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.0 p -123.32 139.1 51.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.116 -0.493 . . . . 74.540000000000006 111.12 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -131.0 112.51 13.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 71.329999999999998 110.881 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 165.85 167.45 26.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.83 -0.7 . . . . 62.439999999999998 112.491 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.414 ' HB3' ' HG ' ' A' ' 98' ' ' LEU . 0.7 OUTLIER -54.79 117.8 3.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 74.109999999999999 110.912 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.0 t -42.64 -41.9 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 73.329999999999998 111.201 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.87 -50.22 74.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 74.25 110.908 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.639 HD13 ' HB2' ' A' ' 62' ' ' ALA . 80.7 mt -48.08 -54.63 12.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 75.129999999999995 110.864 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.8 pt -71.19 -23.09 22.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 70.209999999999994 111.113 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -76.34 -14.26 60.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.272 -0.422 . . . . 72.329999999999998 110.906 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.91 -38.01 58.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 65.230000000000004 110.93 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.569 HD23 ' HA1' ' A' ' 200' ' ' PLM . 6.7 mp -83.54 -5.92 59.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 74.319999999999993 110.969 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.601 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 16.8 mt-10 -65.76 -54.89 25.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.633 0.73 . . . . 63.229999999999997 110.852 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.5 Cg_endo -69.68 -8.45 23.63 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.653 2.236 . . . . 73.129999999999995 112.311 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -94.93 -16.47 22.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 74.430000000000007 110.842 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.725 HD11 ' HE1' ' A' ' 200' ' ' PLM . 13.4 mt -56.59 -38.54 57.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 75.540000000000006 111.137 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.5 -40.82 89.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 64.219999999999999 111.085 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.1 t -50.92 -33.19 23.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 64.310000000000002 110.766 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.679 HD23 ' HG2' ' A' ' 15' ' ' ARG . 13.8 mt -58.51 169.47 0.91 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 61.520000000000003 110.901 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 61.549999999999997 110.886 179.809 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 200' ' ' PLM . . . . . 0.731 ' H31' HD13 ' A' ' 19' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.8 ttt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.708 0.289 . . . . 63.32 110.857 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 p -92.93 142.34 27.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 54.229999999999997 110.823 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 mt -118.32 173.89 6.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 75.019999999999996 110.85 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.72 -60.52 3.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 74.230000000000004 110.936 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.401 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 5.5 m -45.17 -30.46 1.17 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.224 -0.444 . . . . 54.530000000000001 110.913 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -54.06 -50.2 67.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.503 . . . . 71.010000000000005 110.824 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.9 -36.42 38.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 65.439999999999998 110.871 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.698 HG11 ' HG3' ' A' ' 71' ' ' MET . 89.2 t -56.56 -61.02 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 74.299999999999997 111.113 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -48.93 -47.15 43.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 72.030000000000001 110.854 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.78 -45.25 93.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 71.400000000000006 111.148 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -56.5 -51.31 68.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 75.319999999999993 110.956 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.732 HG23 ' H82' ' A' ' 200' ' ' PLM . 61.3 mt -55.43 -56.8 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 74.530000000000001 111.121 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.1 -53.03 58.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 65.530000000000001 111.154 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -25.82 38.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 74.230000000000004 110.869 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -33.27 55.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 74.549999999999997 110.856 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.506 ' HB2' HG12 ' A' ' 51' ' ' VAL . 5.7 mt -67.72 -39.11 84.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 71.150000000000006 110.932 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -61.6 -18.39 59.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 73.030000000000001 110.898 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 t -74.93 -50.83 15.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 62.030000000000001 110.881 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.601 HD13 ' H31' ' A' ' 200' ' ' PLM . 2.6 mp -48.33 104.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 72.510000000000005 111.094 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.17 144.85 75.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.612 0.72 . . . . 72.219999999999999 110.855 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -17.51 37.41 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.636 2.224 . . . . 73.519999999999996 112.266 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.87 -5.44 43.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.336 -0.393 . . . . 74.400000000000006 111.084 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -164.34 104.21 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 71.219999999999999 110.942 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.5 mmm-85 -109.33 -179.33 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 73.040000000000006 110.897 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -119.5 -79.87 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 73.400000000000006 110.92 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.649 HG12 ' CD2' ' A' ' 28' ' ' HIS . 2.6 t -139.88 112.67 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 62.439999999999998 111.08 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -104.03 126.79 51.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 64.430000000000007 110.938 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.649 ' CD2' HG12 ' A' ' 26' ' ' VAL . 1.4 p80 -167.64 169.18 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 70.019999999999996 110.87 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.2 t -86.86 126.53 40.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 54.229999999999997 111.152 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.641 ' CE1' ' HB3' ' A' ' 62' ' ' ALA . 0.9 OUTLIER -112.95 173.06 6.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 71.040000000000006 110.944 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -138.29 133.85 33.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 74.420000000000002 110.891 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.9 128.01 46.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 73.129999999999995 110.894 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -113.16 135.58 53.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 75.140000000000001 110.947 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.629 ' O ' HG12 ' A' ' 41' ' ' VAL . 27.8 mm -114.22 105.1 18.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 73.200000000000003 111.129 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.514 HG22 ' HA ' ' A' ' 40' ' ' VAL . 6.9 p -100.68 138.58 37.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 73.349999999999994 111.177 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.418 ' HG2' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -114.04 98.23 6.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 63.409999999999997 110.898 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.57 -61.31 1.47 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.709 -0.758 . . . . 64.450000000000003 112.485 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.413 ' H ' ' H ' ' A' ' 39' ' ' LYS . . . -168.63 3.93 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.748 -0.739 . . . . 74.120000000000005 112.468 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' H ' ' H ' ' A' ' 38' ' ' GLY . 3.8 mttp -135.85 155.67 49.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.816 0.341 . . . . 62.520000000000003 110.919 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.514 ' HA ' HG22 ' A' ' 35' ' ' THR . 14.7 p -65.97 146.55 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 63.310000000000002 111.18 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.629 HG12 ' O ' ' A' ' 34' ' ' ILE . 1.4 p -120.62 -20.85 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 44.340000000000003 111.118 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.1 165.08 4.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 64.319999999999993 110.948 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -112.15 151.45 29.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 72.109999999999999 110.883 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -139.89 157.57 45.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 73.329999999999998 110.943 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.643 HG13 ' CG2' ' A' ' 54' ' ' VAL . 1.7 p -145.46 138.62 21.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 60.539999999999999 111.098 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -98.98 116.36 31.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 72.040000000000006 110.906 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -92.22 86.98 5.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 72.400000000000006 110.865 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.488 HD12 ' O1 ' ' A' ' 200' ' ' PLM . 1.0 OUTLIER -72.3 -6.21 41.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 74.540000000000006 110.893 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.14 -53.99 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 64.209999999999994 110.911 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.405 ' C ' HG23 ' A' ' 51' ' ' VAL . 3.3 m120 -83.87 -8.35 59.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 41.399999999999999 110.889 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.506 HG12 ' HB2' ' A' ' 16' ' ' LEU . 3.0 t 68.7 41.07 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 71.439999999999998 111.065 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.8 ptmt -149.4 156.77 42.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 73.310000000000002 110.883 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.5 mp -102.78 139.51 38.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 71.219999999999999 110.856 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.643 ' CG2' HG13 ' A' ' 45' ' ' VAL . 3.0 m -136.64 157.83 36.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 72.400000000000006 111.091 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.47 101.96 13.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 73.519999999999996 110.896 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.87 164.71 14.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 73.409999999999997 110.921 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.32 117.54 25.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 71.219999999999999 110.83 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -144.12 158.83 43.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 62.329999999999998 110.902 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.07 93.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 64.140000000000001 111.053 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.78 144.63 27.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 60.25 111.086 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.07 -16.9 62.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 63.549999999999997 110.863 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.641 ' HB3' ' CE1' ' A' ' 30' ' ' TYR . . . -144.82 124.36 13.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 60.229999999999997 111.119 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.8 m -106.45 130.26 54.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 73.239999999999995 111.121 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 mp -128.28 107.07 9.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 42.200000000000003 110.923 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 91' ' ' GLU . 1.2 t -98.56 134.5 41.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 74.439999999999998 111.17 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.564 ' HG2' HG21 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -159.89 152.27 20.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 74.319999999999993 110.824 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -83.74 158.56 21.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 74.439999999999998 110.868 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.84 -58.84 3.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 75.340000000000003 110.854 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.55 -47.23 63.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 74.019999999999996 110.855 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.564 HG21 ' HG2' ' A' ' 66' ' ' MET . 15.0 mm -53.03 -44.95 51.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 73.310000000000002 111.084 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.698 ' HG3' HG11 ' A' ' 8' ' ' VAL . 3.0 tpp -50.76 -42.39 57.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 75.0 110.886 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -68.09 -31.05 70.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 63.32 110.858 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.704 ' HB1' ' HG ' ' A' ' 79' ' ' LEU . . . -75.96 -59.49 2.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 72.109999999999999 111.083 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 44.7 mt -66.61 -46.27 86.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 62.020000000000003 111.113 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.71 ' O ' HD12 ' A' ' 109' ' ' LEU . . . -52.52 -36.89 48.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 54.009999999999998 112.46 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 43.4 p -93.83 5.3 52.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.829 0.347 . . . . 74.329999999999998 111.139 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.37 32.01 71.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.824 -0.703 . . . . 72.340000000000003 112.43 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.37 -39.59 59.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.813 0.34 . . . . 51.420000000000002 111.132 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.704 ' HG ' ' HB1' ' A' ' 73' ' ' ALA . 0.8 OUTLIER -125.4 155.72 71.28 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.628 0.727 . . . . 75.140000000000001 110.944 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 126.52 13.39 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.665 2.244 . . . . 72.450000000000003 112.375 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.546 ' HB1' ' HE3' ' A' ' 85' ' ' MET . . . -64.42 -34.92 79.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 35.219999999999999 111.051 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -65.28 -54.76 24.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 64.019999999999996 110.934 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.12 -45.36 93.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 73.200000000000003 110.886 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.63 -50.08 55.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 63.32 111.047 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.546 ' HE3' ' HB1' ' A' ' 81' ' ' ALA . 8.2 mtt -77.32 -26.7 52.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 72.329999999999998 110.861 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.66 -29.27 69.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 44.200000000000003 111.137 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -88.22 29.03 0.99 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 63.450000000000003 110.908 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.0 t0 46.57 28.16 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 74.430000000000007 110.948 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.77 5.16 49.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 64.209999999999994 110.91 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.468 ' HG2' ' HG3' ' A' ' 66' ' ' MET . 0.0 OUTLIER -165.82 152.19 9.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 63.100000000000001 110.883 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.623 ' O ' HG22 ' A' ' 65' ' ' THR . 1.4 mt-10 -117.25 108.92 16.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 65.450000000000003 110.884 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.7 m -115.65 139.94 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 74.540000000000006 111.082 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -132.38 113.31 13.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 71.329999999999998 110.835 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.75 167.55 27.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.646 -0.788 . . . . 62.439999999999998 112.411 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.435 ' HB3' HD23 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -57.03 120.31 7.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 74.109999999999999 110.863 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 53.3 t -42.18 -43.35 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 73.329999999999998 111.171 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -46.75 72.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.064 -0.516 . . . . 74.25 110.972 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.435 HD23 ' HB3' ' A' ' 95' ' ' GLN . 0.9 OUTLIER -48.78 -54.62 14.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 75.129999999999995 110.933 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.404 ' O ' ' CG ' ' A' ' 200' ' ' PLM . 2.8 pp -71.11 -15.59 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 70.209999999999994 111.134 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -83.62 -10.65 58.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 72.329999999999998 110.874 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.456 ' HG ' HG21 ' A' ' 26' ' ' VAL . 1.4 mm? -75.81 -37.56 59.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 65.230000000000004 110.93 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.598 HD23 ' HA1' ' A' ' 200' ' ' PLM . 6.9 mp -84.96 -6.21 59.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.319999999999993 110.914 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.628 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 10.9 mt-10 -64.15 -53.35 48.36 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.677 0.751 . . . . 63.229999999999997 110.883 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.628 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.6 Cg_endo -69.83 -8.54 23.85 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.675 2.25 . . . . 73.129999999999995 112.369 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -96.18 -17.25 20.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 74.430000000000007 110.82 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.693 HD11 ' HE1' ' A' ' 200' ' ' PLM . 18.0 mt -54.93 -47.37 76.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 75.540000000000006 111.132 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.0 80.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 64.219999999999999 111.117 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.1 m -50.95 -30.31 14.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 64.310000000000002 110.877 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.71 HD12 ' O ' ' A' ' 75' ' ' GLY . 31.9 mt -63.67 171.43 2.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 61.520000000000003 110.934 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 61.549999999999997 110.919 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 200' ' ' PLM . . . . . 0.732 ' H82' HG23 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ptt? . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.83 0.348 . . . . 63.32 110.822 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.44 138.07 31.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 54.229999999999997 110.825 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.66 173.15 8.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 75.019999999999996 110.916 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -59.59 4.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 74.230000000000004 110.887 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.71 -32.11 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 54.530000000000001 110.879 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -53.62 -50.91 64.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 71.010000000000005 110.875 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -52.1 -39.89 60.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 65.439999999999998 110.853 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.462 HG21 ' C ' ' A' ' 71' ' ' MET . 66.5 t -52.26 -59.98 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.299999999999997 111.165 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -49.65 -45.81 48.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 72.030000000000001 110.93 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.54 -44.4 89.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 71.400000000000006 111.056 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.681 ' HB2' HD23 ' A' ' 109' ' ' LEU . 6.2 mmtm -64.1 -53.25 52.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 75.319999999999993 110.909 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.587 ' CG1' HD21 ' A' ' 109' ' ' LEU . 44.5 mt -56.94 -55.14 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 74.530000000000001 111.153 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.58 -53.41 38.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 65.530000000000001 111.069 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -54.09 -29.72 45.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 74.230000000000004 110.851 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -33.89 65.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 74.549999999999997 110.903 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.727 ' HB3' HD12 ' A' ' 19' ' ' ILE . 10.3 mt -65.69 -21.84 66.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 71.150000000000006 110.959 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -54.68 -22.95 15.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 73.030000000000001 110.838 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 t -85.49 -23.51 27.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 62.030000000000001 110.91 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.74 HD11 ' H42' ' A' ' 200' ' ' PLM . 96.3 mt -49.6 104.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 72.510000000000005 111.146 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.41 143.38 27.98 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.676 0.751 . . . . 72.219999999999999 110.844 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -17.3 37.66 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.721 2.281 . . . . 73.519999999999996 112.3 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.5 -5.7 44.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 74.400000000000006 111.15 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -169.08 103.33 0.38 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 71.219999999999999 110.885 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.71 ' CZ ' HG23 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -130.52 174.68 9.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 73.040000000000006 110.932 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -128.02 -59.52 1.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 73.400000000000006 110.916 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.689 HG12 ' CD2' ' A' ' 28' ' ' HIS . 4.3 t -145.13 112.0 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 62.439999999999998 111.128 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.57 124.58 51.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 64.430000000000007 110.853 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.689 ' CD2' HG12 ' A' ' 26' ' ' VAL . 8.9 p80 -171.17 -179.51 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 70.019999999999996 110.911 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -86.07 128.04 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 54.229999999999997 111.152 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.467 ' O ' HG23 ' A' ' 45' ' ' VAL . 10.6 m-85 -107.72 173.24 6.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 71.040000000000006 110.942 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -139.83 130.51 25.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 74.420000000000002 110.933 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -127.34 133.0 50.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 73.129999999999995 110.81 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.681 ' HB2' HG23 ' A' ' 65' ' ' THR . 7.2 mtt85 -118.09 134.05 55.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 75.140000000000001 110.847 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.732 ' O ' HG12 ' A' ' 41' ' ' VAL . 33.6 mm -109.53 93.76 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 73.200000000000003 111.108 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.736 HG22 ' HA ' ' A' ' 40' ' ' VAL . 36.2 p -92.37 137.6 32.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 73.349999999999994 111.189 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -117.78 98.52 6.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 63.409999999999997 110.964 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 105.2 -64.91 0.3 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.814 -0.708 . . . . 64.450000000000003 112.473 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.71 6.57 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.882 -0.675 . . . . 74.120000000000005 112.596 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -139.98 158.65 43.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.763 0.316 . . . . 62.520000000000003 110.886 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.736 ' HA ' HG22 ' A' ' 35' ' ' THR . 21.9 t -70.06 141.62 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 63.310000000000002 111.06 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.732 HG12 ' O ' ' A' ' 34' ' ' ILE . 1.3 p -121.21 -18.77 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 44.340000000000003 111.133 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -168.05 163.39 13.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 64.319999999999993 110.905 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -113.42 152.52 29.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 72.109999999999999 110.946 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.41 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -142.33 156.89 45.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 73.329999999999998 110.937 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.671 HG13 ' CG2' ' A' ' 54' ' ' VAL . 1.9 p -146.88 138.53 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 60.539999999999999 111.155 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -99.54 119.22 37.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 72.040000000000006 110.843 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -98.08 95.15 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 72.400000000000006 110.873 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.7 mt -79.38 0.69 28.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 74.540000000000006 110.892 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.73 -55.52 4.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 64.209999999999994 110.907 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -88.6 -7.76 55.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 41.399999999999999 110.855 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.5 t 69.02 45.13 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 71.439999999999998 111.173 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -149.58 137.51 20.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 73.310000000000002 110.888 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.81 139.82 31.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 71.219999999999999 110.938 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.671 ' CG2' HG13 ' A' ' 45' ' ' VAL . 3.1 m -138.95 161.13 29.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 72.400000000000006 111.13 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -103.09 107.52 18.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 73.519999999999996 110.855 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.49 164.46 12.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 73.409999999999997 110.855 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -117.73 117.09 28.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.125 -0.489 . . . . 71.219999999999999 110.844 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -148.04 157.83 43.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 62.329999999999998 110.897 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.64 93.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 64.140000000000001 111.036 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.27 146.71 24.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 60.25 111.101 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.58 -21.58 66.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 63.549999999999997 110.857 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.34 124.37 15.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 60.229999999999997 111.067 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 53.9 m -98.26 128.54 44.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 73.239999999999995 111.152 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.04 111.19 16.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 42.200000000000003 110.978 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.681 HG23 ' HB2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -109.97 129.55 55.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 74.439999999999998 111.129 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.603 ' HG2' HG21 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -159.31 162.33 35.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 74.319999999999993 110.9 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -92.38 160.94 14.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 74.439999999999998 110.926 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.4 -57.97 5.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 75.340000000000003 110.85 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.76 -33.57 23.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 74.019999999999996 110.823 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.603 HG21 ' HG2' ' A' ' 66' ' ' MET . 15.1 mm -74.88 -33.32 29.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 73.310000000000002 111.108 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.462 ' C ' HG21 ' A' ' 8' ' ' VAL . 8.4 mmt -60.16 -47.98 83.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.484 . . . . 75.0 110.837 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.728 ' O ' HG22 ' A' ' 76' ' ' THR . 83.6 t80 -71.35 -30.39 66.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 63.32 110.906 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.92 -59.38 2.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 72.109999999999999 111.094 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 57.8 mt -72.7 -35.36 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 62.020000000000003 111.131 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.715 ' O ' HD22 ' A' ' 109' ' ' LEU . . . -50.11 -41.6 38.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 54.009999999999998 112.484 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.728 HG22 ' O ' ' A' ' 72' ' ' PHE . 5.2 t -98.79 4.44 47.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.879 0.371 . . . . 74.329999999999998 111.192 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.67 31.91 81.44 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.716 -0.754 . . . . 72.340000000000003 112.502 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.64 -37.82 87.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 51.420000000000002 111.117 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.402 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -123.74 159.4 56.0 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.635 0.731 . . . . 75.140000000000001 110.927 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 119.42 6.37 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.705 2.27 . . . . 72.450000000000003 112.324 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.668 ' HB1' ' HE1' ' A' ' 85' ' ' MET . . . -62.61 -26.23 68.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 35.219999999999999 111.073 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -56.42 6.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.296 -0.411 . . . . 64.019999999999996 110.872 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -63.05 -44.38 96.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 73.200000000000003 110.92 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.47 ' HB1' ' CE ' ' A' ' 90' ' ' MET . . . -51.52 -51.3 56.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.488 . . . . 63.32 111.153 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.668 ' HE1' ' HB1' ' A' ' 81' ' ' ALA . 5.2 mtt -75.88 -26.64 57.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 72.329999999999998 110.852 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.63 -33.22 71.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 44.200000000000003 111.093 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -87.95 28.14 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 63.450000000000003 110.955 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 47.57 28.56 1.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 74.430000000000007 110.914 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.08 6.75 46.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 64.209999999999994 110.801 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.47 ' CE ' ' HB1' ' A' ' 84' ' ' ALA . 1.6 mtm -150.4 142.48 24.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 63.100000000000001 110.876 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -117.52 108.85 16.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 65.450000000000003 110.863 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.4 t -131.41 139.01 51.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 74.540000000000006 111.13 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -131.1 113.37 13.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 71.329999999999998 110.873 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.88 167.55 27.74 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.717 -0.754 . . . . 62.439999999999998 112.441 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.62 119.19 4.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 74.109999999999999 110.902 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.9 t -42.75 -44.29 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 73.329999999999998 111.1 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.92 -50.37 73.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 74.25 110.93 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.666 HD22 ' NE2' ' A' ' 28' ' ' HIS . 70.1 mt -48.3 -54.33 14.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 75.129999999999995 110.919 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 28.9 pt -70.25 -21.77 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 70.209999999999994 111.146 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -79.63 -13.9 59.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 72.329999999999998 110.824 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.56 -40.89 56.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 65.230000000000004 111.005 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.679 HD23 ' HA1' ' A' ' 200' ' ' PLM . 8.5 mp -82.42 -7.05 59.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 74.319999999999993 110.93 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.626 ' HA ' HD12 ' A' ' 106' ' ' ILE . 13.4 mt-10 -62.52 -55.31 40.5 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.662 0.744 . . . . 63.229999999999997 110.909 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.9 Cg_endo -69.76 -9.08 25.23 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.721 2.28 . . . . 73.129999999999995 112.362 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -95.54 -16.97 21.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 74.430000000000007 110.879 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.68 HD11 ' HE1' ' A' ' 200' ' ' PLM . 16.2 mt -55.3 -46.16 78.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 75.540000000000006 111.14 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.19 -37.99 89.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 64.219999999999999 111.073 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.9 -37.89 33.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 64.310000000000002 110.904 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.715 HD22 ' O ' ' A' ' 75' ' ' GLY . 10.2 mp -50.88 170.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 61.520000000000003 110.985 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 61.549999999999997 110.881 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 200' ' ' PLM . . . . . 0.74 ' H42' HD11 ' A' ' 19' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.763 0.316 . . . . 63.32 110.856 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -128.4 132.76 48.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 54.229999999999997 110.887 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.1 165.19 16.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 75.019999999999996 110.918 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.87 -62.26 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 74.230000000000004 110.884 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 p -44.63 -30.88 0.99 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 54.530000000000001 110.866 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.22 -50.0 68.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 71.010000000000005 110.884 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -53.22 -39.18 63.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 65.439999999999998 110.887 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.449 HG11 ' SD ' ' A' ' 71' ' ' MET . 73.3 t -57.46 -57.94 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 74.299999999999997 111.134 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -48.7 -44.51 38.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 72.030000000000001 110.923 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.18 -49.3 74.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 71.400000000000006 111.113 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -51.48 -51.84 51.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 75.319999999999993 110.893 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.455 HG23 ' H82' ' A' ' 200' ' ' PLM . 32.3 mt -51.88 -58.91 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.530000000000001 111.191 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.74 -49.97 35.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 65.530000000000001 111.119 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -43.58 76.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 74.230000000000004 110.937 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -58.46 -37.25 75.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 74.549999999999997 110.923 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.834 ' HB2' HG13 ' A' ' 51' ' ' VAL . 3.2 mt -61.74 -18.78 61.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 71.150000000000006 110.981 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.719 ' HG2' HG11 ' A' ' 51' ' ' VAL . 50.5 mt-10 -80.63 -16.97 52.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 73.030000000000001 110.962 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.9 m -74.48 -46.11 41.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 62.030000000000001 110.845 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.54 HD11 ' H42' ' A' ' 200' ' ' PLM . 2.4 mp -48.14 104.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 72.510000000000005 111.11 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.79 144.07 47.8 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.579 0.704 . . . . 72.219999999999999 110.882 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -21.49 33.44 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.676 2.251 . . . . 73.519999999999996 112.38 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.92 8.88 21.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 74.400000000000006 111.13 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -167.27 104.59 0.54 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 71.219999999999999 110.864 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 -109.47 175.26 5.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 73.040000000000006 110.928 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -115.34 -79.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 73.400000000000006 110.958 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.4 t -142.66 101.73 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 62.439999999999998 111.12 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -82.91 126.43 32.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 64.430000000000007 110.878 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.515 ' O ' HD13 ' A' ' 48' ' ' LEU . 2.5 m-70 -169.36 170.69 8.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 70.019999999999996 110.879 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.458 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 72.6 t -98.62 136.27 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 54.229999999999997 111.097 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.761 ' CD1' ' HB3' ' A' ' 62' ' ' ALA . 12.5 m-85 -126.66 166.89 16.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.252 -0.431 . . . . 71.040000000000006 110.891 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -139.06 137.88 36.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 74.420000000000002 110.869 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.26 150.1 34.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 73.129999999999995 110.921 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.753 ' CB ' HG23 ' A' ' 65' ' ' THR . 0.0 OUTLIER -125.22 126.34 45.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 75.140000000000001 110.895 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.711 ' O ' HG12 ' A' ' 41' ' ' VAL . 30.1 mm -107.34 92.43 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 73.200000000000003 111.196 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.706 HG22 ' HA ' ' A' ' 40' ' ' VAL . 7.9 p -92.98 137.87 31.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 73.349999999999994 111.175 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.418 ' HG2' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -110.07 97.61 7.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 63.409999999999997 110.965 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.59 -51.6 2.35 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.694 -0.765 . . . . 64.450000000000003 112.457 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.03 -20.08 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 74.120000000000005 112.494 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.62 141.51 43.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 62.520000000000003 110.898 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.706 ' HA ' HG22 ' A' ' 35' ' ' THR . 12.3 p -58.31 147.06 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 63.310000000000002 111.071 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.711 HG12 ' O ' ' A' ' 34' ' ' ILE . 1.2 p -123.51 -19.25 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 44.340000000000003 111.138 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.13 165.17 3.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 64.319999999999993 110.877 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.15 153.22 31.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 72.109999999999999 110.872 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.442 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.6 OUTLIER -132.3 149.87 52.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.473 . . . . 73.329999999999998 110.94 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 56' ' ' SER . 82.6 t -126.21 138.74 53.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 60.539999999999999 111.143 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.479 ' HG3' HD11 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -100.53 97.53 8.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 72.040000000000006 110.898 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -83.7 91.92 7.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 72.400000000000006 110.919 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.515 HD13 ' O ' ' A' ' 28' ' ' HIS . 6.9 mp -81.92 -3.49 54.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 74.540000000000006 110.942 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -86.21 -56.13 3.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 64.209999999999994 110.931 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.95 -9.43 51.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 41.399999999999999 110.86 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.834 HG13 ' HB2' ' A' ' 16' ' ' LEU . 21.1 t 69.89 48.72 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 71.439999999999998 111.103 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -148.1 122.85 9.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 73.310000000000002 110.899 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.479 HD11 ' HG3' ' A' ' 46' ' ' MET . 3.3 mp -83.7 100.34 10.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 71.219999999999999 110.902 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 m -96.22 175.77 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 72.400000000000006 111.11 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.442 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 2.3 pt-20 -109.44 113.44 26.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.483 . . . . 73.519999999999996 110.932 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.486 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -166.72 166.23 15.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 73.409999999999997 110.843 -179.717 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.27 117.39 25.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.095 -0.502 . . . . 71.219999999999999 110.803 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.66 162.82 40.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 62.329999999999998 110.832 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.01 90.8 2.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 64.140000000000001 111.078 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.458 ' HB1' ' O ' ' A' ' 29' ' ' VAL . . . -91.42 159.48 15.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 60.25 111.123 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.58 -25.82 68.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 63.549999999999997 110.93 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.761 ' HB3' ' CD1' ' A' ' 30' ' ' TYR . . . -139.0 124.35 19.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 60.229999999999997 111.141 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.594 ' C ' HD13 ' A' ' 64' ' ' LEU . 37.8 m -112.8 123.68 50.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 73.239999999999995 111.123 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.594 HD13 ' C ' ' A' ' 63' ' ' THR . 0.3 OUTLIER -114.06 104.58 12.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 42.200000000000003 110.91 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.753 HG23 ' CB ' ' A' ' 33' ' ' ARG . 1.8 m -99.22 124.54 44.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.257 -0.429 . . . . 74.439999999999998 111.174 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.621 ' HG2' HG21 ' A' ' 70' ' ' ILE . 2.0 mtp -153.47 141.37 20.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 74.319999999999993 110.868 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.61 157.09 38.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 74.439999999999998 110.862 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.62 -56.66 6.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 75.340000000000003 110.816 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.458 ' O ' ' CE2' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -49.87 -33.41 16.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 74.019999999999996 110.863 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.621 HG21 ' HG2' ' A' ' 66' ' ' MET . 13.1 mm -83.72 -22.24 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 73.310000000000002 111.124 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.449 ' SD ' HG11 ' A' ' 8' ' ' VAL . 29.5 tpp -61.02 -53.04 62.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 75.0 110.902 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.503 ' C ' ' CD1' ' A' ' 72' ' ' PHE . 3.0 p90 -68.07 -29.34 68.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 63.32 110.823 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.67 -60.31 2.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 72.109999999999999 111.133 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.481 HG21 ' HE1' ' A' ' 66' ' ' MET . 7.1 mm -59.47 -47.32 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.389 . . . . 62.020000000000003 111.128 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.666 ' O ' HD12 ' A' ' 109' ' ' LEU . . . -53.1 -33.85 45.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 54.009999999999998 112.433 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 69.2 p -99.25 4.34 46.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 74.329999999999998 111.131 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.39 44.06 98.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.741 . . . . 72.340000000000003 112.515 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.32 -42.4 9.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 51.420000000000002 111.098 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.6 mt -107.32 146.55 33.48 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.625 0.726 . . . . 75.140000000000001 110.884 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 114.01 3.57 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.271 . . . . 72.450000000000003 112.309 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.473 ' HB1' ' HE1' ' A' ' 85' ' ' MET . . . -57.19 -31.7 65.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 35.219999999999999 111.051 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -71.1 -53.05 15.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 64.019999999999996 110.927 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.61 -44.91 95.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 73.200000000000003 110.885 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.04 -51.6 51.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 63.32 111.09 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.473 ' HE1' ' HB1' ' A' ' 81' ' ' ALA . 6.2 mtt -75.85 -26.84 57.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 72.329999999999998 110.863 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.38 -32.63 70.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 44.200000000000003 111.142 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -90.16 27.79 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 63.450000000000003 110.91 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 46.85 29.47 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 74.430000000000007 110.909 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.94 5.45 51.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 64.209999999999994 110.868 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -160.14 150.54 18.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 63.100000000000001 110.836 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -121.34 107.95 13.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 65.450000000000003 110.955 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.9 p -112.85 137.47 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 74.540000000000006 111.129 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -130.55 112.26 13.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 71.329999999999998 110.871 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.1 167.45 26.77 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 62.439999999999998 112.489 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.463 ' HB3' HD23 ' A' ' 98' ' ' LEU . 4.3 tp60 -58.22 125.15 21.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.877 0.37 . . . . 74.109999999999999 110.905 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 67.0 t -42.22 -49.11 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 73.329999999999998 111.099 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.557 ' O ' HD23 ' A' ' 101' ' ' LEU . 3.9 mt-10 -61.16 -47.21 87.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 74.25 110.94 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.47 HD12 ' HE1' ' A' ' 30' ' ' TYR . 1.4 mm? -47.92 -54.25 13.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 75.129999999999995 110.921 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.477 HG22 HD11 ' A' ' 64' ' ' LEU . 33.2 pt -68.73 -25.82 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 70.209999999999994 111.098 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -76.16 -16.31 59.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 72.329999999999998 110.892 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 97' ' ' GLU . 3.4 mm? -75.72 -31.76 59.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 65.230000000000004 110.925 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.461 ' HG ' ' C8 ' ' A' ' 200' ' ' PLM . 5.5 mp -86.19 -8.61 57.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.319999999999993 110.98 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.644 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 27.1 mt-10 -63.64 -51.35 66.77 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.695 0.76 . . . . 63.229999999999997 110.934 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.644 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.4 Cg_endo -69.79 -10.1 27.7 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.714 2.276 . . . . 73.129999999999995 112.34 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -95.59 -17.23 21.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 74.430000000000007 110.862 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.697 HD11 ' HE1' ' A' ' 200' ' ' PLM . 24.7 mt -56.0 -44.83 79.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 75.540000000000006 111.095 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.65 -41.88 91.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 64.219999999999999 111.112 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.83 -27.41 7.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 64.310000000000002 110.891 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 75' ' ' GLY . 12.9 mt -73.31 171.17 13.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 61.520000000000003 110.926 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 52.2 tttt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 61.549999999999997 110.907 179.799 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 200' ' ' PLM . . . . . 0.697 ' HE1' HD11 ' A' ' 106' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.805 0.336 . . . . 63.32 110.817 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 p -95.17 128.65 42.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 54.229999999999997 110.847 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.744 HD13 ' N ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -121.49 151.9 39.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 75.019999999999996 110.979 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.5 -42.38 22.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 74.230000000000004 110.949 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.466 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 0.9 OUTLIER -44.99 -28.24 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 54.530000000000001 110.911 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -54.24 -43.47 70.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 71.010000000000005 110.91 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -55.01 -37.2 66.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 65.439999999999998 110.852 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.889 HG21 ' HA ' ' A' ' 72' ' ' PHE . 32.5 t -53.81 -61.17 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 74.299999999999997 111.107 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.4 ' CD1' ' HE3' ' A' ' 71' ' ' MET . 3.2 m-85 -49.42 -43.34 44.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 72.030000000000001 110.903 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.84 92.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 71.400000000000006 111.077 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -54.31 -48.55 71.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 75.319999999999993 110.876 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.667 HG23 ' H82' ' A' ' 200' ' ' PLM . 46.5 mt -53.78 -50.89 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 74.530000000000001 111.148 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.74 -52.71 63.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 65.530000000000001 111.08 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -29.52 58.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 74.230000000000004 110.803 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -34.69 67.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.29 -0.414 . . . . 74.549999999999997 110.886 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.421 ' HB2' HG12 ' A' ' 51' ' ' VAL . 7.1 mt -63.14 -28.62 70.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 71.150000000000006 110.908 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -57.18 -24.0 51.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 73.030000000000001 110.882 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.51 -25.43 57.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 62.030000000000001 110.917 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.416 HD12 ' HB3' ' A' ' 16' ' ' LEU . 31.0 mt -49.47 105.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.515 . . . . 72.510000000000005 111.147 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.72 144.56 28.06 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.603 0.716 . . . . 72.219999999999999 110.873 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -16.11 37.37 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.725 2.284 . . . . 73.519999999999996 112.357 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.15 -4.91 41.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 74.400000000000006 111.134 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.66 104.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 71.219999999999999 110.853 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.2 mmm-85 -111.23 176.82 4.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 73.040000000000006 110.841 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -119.83 -79.88 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 73.400000000000006 110.945 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.67 HG21 HD23 ' A' ' 98' ' ' LEU . 6.8 p -141.95 114.19 3.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 62.439999999999998 111.123 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.08 125.18 50.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 64.430000000000007 110.891 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.61 179.05 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 70.019999999999996 110.894 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.9 t -94.45 127.31 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 54.229999999999997 111.143 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.588 ' OH ' HD22 ' A' ' 98' ' ' LEU . 23.0 m-85 -117.78 172.53 7.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 71.040000000000006 110.961 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -137.77 133.86 34.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 74.420000000000002 110.928 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.41 115.68 19.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 73.129999999999995 110.911 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.406 ' HB2' HG23 ' A' ' 65' ' ' THR . 0.0 OUTLIER -94.9 133.36 38.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 75.140000000000001 110.89 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.7 mm -115.34 135.84 54.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 73.200000000000003 111.16 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.6 p -119.12 136.83 53.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 73.349999999999994 111.139 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -152.81 98.77 2.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 63.409999999999997 110.946 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.88 7.34 17.64 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.717 -0.754 . . . . 64.450000000000003 112.483 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.4 -17.51 28.59 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.714 -0.755 . . . . 74.120000000000005 112.488 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.07 161.0 38.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 62.520000000000003 110.913 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.3 t -53.91 124.8 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 63.310000000000002 111.174 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.7 p -86.97 -34.99 8.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 44.340000000000003 111.135 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.71 149.54 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 64.319999999999993 110.877 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -86.68 162.12 18.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 72.109999999999999 110.867 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.488 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.7 OUTLIER -138.25 149.92 46.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 73.329999999999998 110.83 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 56' ' ' SER . 28.3 t -124.62 141.06 45.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 60.539999999999999 111.113 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.408 ' SD ' HD21 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -100.29 101.55 12.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 72.040000000000006 110.908 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.37 80.49 7.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 72.400000000000006 110.933 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mp -74.33 -14.3 60.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 74.540000000000006 110.89 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -81.72 -51.6 8.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 64.209999999999994 110.872 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -85.66 -5.86 59.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 41.399999999999999 110.878 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.421 HG12 ' HB2' ' A' ' 16' ' ' LEU . 3.5 t 69.25 46.68 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 71.439999999999998 111.128 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -147.91 171.19 16.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 73.310000000000002 110.881 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.413 ' CD1' HD11 ' A' ' 16' ' ' LEU . 3.6 mp -131.18 100.74 5.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 71.219999999999999 110.891 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -99.43 172.1 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 72.400000000000006 111.115 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.488 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.1 pp20? -104.63 110.85 23.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 73.519999999999996 110.897 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.702 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -167.07 166.74 15.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 73.409999999999997 110.91 -179.793 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.2 117.88 23.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 71.219999999999999 110.883 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.52 163.02 38.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 62.329999999999998 110.875 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.34 92.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 64.140000000000001 111.103 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.49 149.73 20.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 60.25 111.088 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.19 -22.21 66.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 63.549999999999997 110.928 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.56 123.79 19.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 60.229999999999997 111.068 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.2 m -101.3 125.66 47.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 73.239999999999995 111.158 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.542 ' HA ' HG12 ' A' ' 92' ' ' VAL . 1.1 mt -121.01 104.99 10.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 42.200000000000003 110.941 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.406 HG23 ' HB2' ' A' ' 33' ' ' ARG . 0.9 OUTLIER -101.89 126.83 48.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 74.439999999999998 111.138 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.612 ' HG2' HG21 ' A' ' 70' ' ' ILE . 4.9 mtt -154.13 141.57 19.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 74.319999999999993 110.903 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -74.18 154.88 38.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 74.439999999999998 110.908 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.96 -55.29 15.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 75.340000000000003 110.875 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.403 ' HA ' ' CE2' ' A' ' 72' ' ' PHE . 4.2 m-20 -51.4 -28.95 14.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 74.019999999999996 110.826 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.612 HG21 ' HG2' ' A' ' 66' ' ' MET . 14.7 mm -83.45 -22.83 8.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 73.310000000000002 111.205 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.473 ' CG ' ' N ' ' A' ' 72' ' ' PHE . 1.2 ptt? -61.75 -46.47 89.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 75.0 110.915 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.889 ' HA ' HG21 ' A' ' 8' ' ' VAL . 2.9 p90 -76.95 -28.55 55.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 63.32 110.917 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.95 -59.44 3.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 72.109999999999999 111.121 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 53.8 mt -75.62 -32.86 25.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 62.020000000000003 111.112 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.782 ' O ' HD12 ' A' ' 109' ' ' LEU . . . -50.85 -41.42 44.23 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.761 -0.733 . . . . 54.009999999999998 112.493 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.732 HG22 ' O ' ' A' ' 72' ' ' PHE . 6.2 t -98.5 12.34 35.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 74.329999999999998 111.164 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 58.0 30.03 63.0 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.688 -0.768 . . . . 72.340000000000003 112.489 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.02 -40.91 74.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.76 0.314 . . . . 51.420000000000002 111.051 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.2 mt -121.38 157.83 55.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.613 0.72 . . . . 75.140000000000001 110.912 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 117.44 5.08 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.681 2.254 . . . . 72.450000000000003 112.343 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.524 ' O ' ' HE3' ' A' ' 85' ' ' MET . . . -59.56 -38.44 81.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 35.219999999999999 111.109 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -62.48 -50.53 71.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 64.019999999999996 110.905 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.34 -45.09 95.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 73.200000000000003 110.896 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.92 -50.42 57.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.493 . . . . 63.32 111.144 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.524 ' HE3' ' O ' ' A' ' 81' ' ' ALA . 5.9 mtt -76.11 -26.86 56.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 72.329999999999998 110.931 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.96 -31.54 71.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 44.200000000000003 111.121 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -88.83 28.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 63.450000000000003 110.917 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 47.61 27.83 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 74.430000000000007 110.866 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.09 3.38 49.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 64.209999999999994 110.932 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.401 ' HE1' ' HG3' ' A' ' 85' ' ' MET . 1.1 mpp? -158.76 152.34 23.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 63.100000000000001 110.865 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -125.29 108.13 11.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 65.450000000000003 110.899 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.542 HG12 ' HA ' ' A' ' 64' ' ' LEU . 6.2 m -121.25 144.32 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 74.540000000000006 111.187 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -133.6 112.47 11.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 71.329999999999998 110.826 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.61 167.98 28.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.794 -0.717 . . . . 62.439999999999998 112.502 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.462 ' HB2' HD12 ' A' ' 98' ' ' LEU . 1.8 tp60 -55.02 115.34 2.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.371 . . . . 74.109999999999999 110.914 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.7 t -43.21 -44.42 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 73.329999999999998 111.08 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.556 ' O ' HD23 ' A' ' 101' ' ' LEU . 3.8 mt-10 -56.67 -50.1 73.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 74.25 110.891 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.67 HD23 HG21 ' A' ' 26' ' ' VAL . 70.8 mt -48.21 -54.1 14.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 75.129999999999995 110.927 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.506 HG22 HD21 ' A' ' 64' ' ' LEU . 34.6 pt -70.71 -24.21 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 70.209999999999994 111.096 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -77.33 -15.05 59.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 72.329999999999998 110.873 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 97' ' ' GLU . 3.0 mm? -75.15 -32.52 61.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 65.230000000000004 110.924 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.545 HD23 ' HA1' ' A' ' 200' ' ' PLM . 6.6 mp -87.13 -7.71 57.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 74.319999999999993 110.886 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.644 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 12.7 mt-10 -63.52 -52.11 62.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.685 0.755 . . . . 63.229999999999997 110.948 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.644 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 54.6 Cg_endo -69.67 -8.48 23.71 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.763 2.309 . . . . 73.129999999999995 112.329 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -97.44 -16.6 20.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 74.430000000000007 110.965 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.704 HD11 ' HE1' ' A' ' 200' ' ' PLM . 27.1 mt -55.67 -41.03 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 75.540000000000006 111.15 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.08 -40.13 82.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 64.219999999999999 111.121 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.1 m -49.66 -34.47 18.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 64.310000000000002 110.833 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.782 HD12 ' O ' ' A' ' 75' ' ' GLY . 10.3 mt -52.04 167.18 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 61.520000000000003 110.893 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 61.549999999999997 110.879 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 200' ' ' PLM . . . . . 0.704 ' HE1' HD11 ' A' ' 106' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mmt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.8 0.333 . . . . 63.32 110.869 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.08 152.59 29.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 54.229999999999997 110.898 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.54 HD13 ' OD2' ' A' ' 68' ' ' ASP . 0.6 OUTLIER -93.01 133.18 36.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 75.019999999999996 110.937 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.99 -34.14 1.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 74.230000000000004 110.91 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.403 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 4.3 m -45.76 -27.03 0.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 54.530000000000001 110.894 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -53.71 -47.76 70.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 71.010000000000005 110.845 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.26 -38.12 57.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 65.439999999999998 110.88 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.572 HG21 ' C ' ' A' ' 71' ' ' MET . 77.6 t -55.05 -58.22 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 74.299999999999997 111.221 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -51.57 -43.28 62.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.504 . . . . 72.030000000000001 110.881 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.66 -44.19 87.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 71.400000000000006 111.133 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -58.09 -51.41 69.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 75.319999999999993 110.897 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.719 HG23 ' C8 ' ' A' ' 200' ' ' PLM . 70.5 mt -54.75 -54.14 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 74.530000000000001 111.117 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.864 ' HA ' HD23 ' A' ' 16' ' ' LEU . . . -57.1 -55.52 33.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 65.530000000000001 111.173 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -57.51 -30.96 65.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 74.230000000000004 110.855 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.678 ' HG3' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -77.28 -37.32 53.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 74.549999999999997 110.801 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.864 HD23 ' HA ' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -69.98 -20.61 63.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 71.150000000000006 110.886 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.553 ' HG2' HG12 ' A' ' 51' ' ' VAL . 34.6 mt-10 -64.93 -13.93 58.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 73.030000000000001 110.907 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.24 -17.4 60.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 62.030000000000001 110.859 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.568 HD12 HD12 ' A' ' 16' ' ' LEU . 44.9 mt -46.15 137.27 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 72.510000000000005 111.142 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.3 143.8 31.06 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.612 0.72 . . . . 72.219999999999999 110.879 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -7.64 21.57 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.716 2.278 . . . . 73.519999999999996 112.318 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.69 -4.3 58.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 74.400000000000006 111.093 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.69 107.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 71.219999999999999 110.857 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.409 ' NE ' HG21 ' A' ' 19' ' ' ILE . 43.6 mmm-85 -102.13 176.45 5.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 73.040000000000006 110.86 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.522 ' HG3' HD22 ' A' ' 101' ' ' LEU . 2.6 tp60 -110.07 -48.51 3.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 73.400000000000006 110.923 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.477 ' HB ' ' O ' ' A' ' 25' ' ' GLN . 7.8 p 175.76 127.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 62.439999999999998 111.177 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -99.34 123.63 43.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 64.430000000000007 110.904 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.09 179.34 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 70.019999999999996 110.839 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.3 t -103.93 132.83 49.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 54.229999999999997 111.122 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.41 ' HB2' ' HB2' ' A' ' 46' ' ' MET . 51.7 m-85 -116.98 169.25 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 71.040000000000006 110.936 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -138.38 132.23 31.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 74.420000000000002 110.869 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' TRP . 0.3 OUTLIER -127.86 115.3 18.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 73.129999999999995 110.905 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.666 ' HB3' HG23 ' A' ' 65' ' ' THR . 0.0 OUTLIER -96.75 133.69 40.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 75.140000000000001 110.852 -179.868 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.1 mm -115.34 112.52 40.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 73.200000000000003 111.187 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.614 HG22 ' HA ' ' A' ' 40' ' ' VAL . 16.6 p -111.45 138.74 47.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 73.349999999999994 111.148 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.45 98.22 8.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 63.409999999999997 110.856 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.84 -52.17 4.68 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.731 . . . . 64.450000000000003 112.467 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.01 -28.61 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.649 -0.786 . . . . 74.120000000000005 112.44 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -97.71 161.7 13.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 62.520000000000003 110.864 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.614 ' HA ' HG22 ' A' ' 35' ' ' THR . 39.3 t -82.39 119.48 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 63.310000000000002 111.056 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.8 p -86.35 -35.61 9.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.134 -0.485 . . . . 44.340000000000003 111.19 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.46 150.23 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 64.319999999999993 110.878 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -90.68 165.49 13.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 72.109999999999999 110.889 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.489 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.8 OUTLIER -140.77 142.94 34.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.188 -0.46 . . . . 73.329999999999998 110.961 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 56' ' ' SER . 71.1 t -124.36 141.56 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 60.539999999999999 111.127 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.481 ' SD ' HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -101.93 100.08 10.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 72.040000000000006 110.871 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.34 85.12 6.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 72.400000000000006 110.909 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.3 mp -75.97 -7.95 55.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 74.540000000000006 110.894 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -84.66 -55.92 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 64.209999999999994 110.904 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -83.86 -5.69 59.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 41.399999999999999 110.89 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.696 HG13 HD11 ' A' ' 16' ' ' LEU . 11.4 t 69.53 47.98 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 71.439999999999998 111.104 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -148.47 166.17 28.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 73.310000000000002 110.936 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.554 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -124.64 100.49 6.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 71.219999999999999 110.912 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 m -97.58 176.91 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 72.400000000000006 111.112 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.489 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.5 pt-20 -109.96 114.23 27.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 73.519999999999996 110.866 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.569 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -167.52 167.38 13.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 73.409999999999997 110.828 -179.772 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -125.59 117.49 23.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 71.219999999999999 110.896 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.32 163.13 39.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 62.329999999999998 110.826 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.77 92.4 1.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 64.140000000000001 111.11 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.26 159.15 15.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 60.25 111.064 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -23.45 67.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 63.549999999999997 110.914 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.1 123.56 18.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 60.229999999999997 111.102 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 74.9 m -102.09 126.2 48.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 73.239999999999995 111.204 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.27 105.03 9.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 42.200000000000003 110.901 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.666 HG23 ' HB3' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -99.87 127.4 46.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 74.439999999999998 111.122 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -153.83 141.5 19.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 74.319999999999993 110.865 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -76.95 155.7 32.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 74.439999999999998 110.85 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.54 ' OD2' HD13 ' A' ' 3' ' ' LEU . 0.3 OUTLIER -48.16 -53.13 17.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 75.340000000000003 110.812 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.424 ' HA ' ' CE2' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -50.57 -34.19 24.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 74.019999999999996 110.801 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.402 HD13 ' HA ' ' A' ' 70' ' ' ILE . 15.3 mm -77.95 -22.63 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 73.310000000000002 111.092 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.572 ' C ' HG21 ' A' ' 8' ' ' VAL . 3.1 tpp -63.26 -51.13 67.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 75.0 110.886 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.495 ' C ' ' CD1' ' A' ' 72' ' ' PHE . 2.6 p90 -71.63 -29.18 64.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 63.32 110.878 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.36 -59.95 2.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 72.109999999999999 111.04 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.1 mt -70.61 -43.38 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 62.020000000000003 111.182 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -53.18 -37.99 55.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.747 . . . . 54.009999999999998 112.528 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.4 p -93.39 5.86 50.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.822 0.344 . . . . 74.329999999999998 111.16 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.49 28.09 64.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 72.340000000000003 112.507 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.22 -39.91 65.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 51.420000000000002 111.094 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 60.6 mt -120.85 153.53 57.19 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.584 0.707 . . . . 75.140000000000001 110.922 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 125.85 12.61 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.735 2.29 . . . . 72.450000000000003 112.295 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.536 ' HB1' ' HE1' ' A' ' 85' ' ' MET . . . -63.77 -28.95 70.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 35.219999999999999 111.103 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -56.16 6.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 64.019999999999996 110.888 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.62 -44.35 96.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 73.200000000000003 110.875 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.81 -52.01 45.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 63.32 111.129 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.536 ' HE1' ' HB1' ' A' ' 81' ' ' ALA . 7.6 mtm -75.79 -26.29 57.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 72.329999999999998 110.881 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.35 -33.32 71.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 44.200000000000003 111.083 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -85.92 28.0 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 63.450000000000003 110.935 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 t70 47.02 28.38 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 74.430000000000007 110.82 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -92.25 2.23 56.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 64.209999999999994 110.91 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.8 mtm -150.24 146.34 26.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 63.100000000000001 110.873 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -122.11 108.55 13.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 65.450000000000003 110.83 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.7 p -123.04 141.18 44.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 74.540000000000006 111.098 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -132.5 112.81 12.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 71.329999999999998 110.811 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.04 168.18 28.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.805 -0.712 . . . . 62.439999999999998 112.544 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -54.64 117.78 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 74.109999999999999 110.878 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 84.3 t -43.32 -48.47 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 73.329999999999998 111.146 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -51.0 69.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 74.25 110.912 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 40.1 mt -48.34 -54.16 14.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 75.129999999999995 110.928 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 36.2 pt -70.44 -22.91 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 70.209999999999994 111.047 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -78.23 -14.48 59.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 72.329999999999998 110.953 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.522 HD22 ' HG3' ' A' ' 25' ' ' GLN . 40.7 mt -75.05 -36.33 61.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 65.230000000000004 110.909 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.759 HD23 ' HA1' ' A' ' 200' ' ' PLM . 11.1 mp -86.55 -4.98 59.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 74.319999999999993 110.92 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.643 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 8.2 mt-10 -64.64 -52.52 51.09 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.65 0.738 . . . . 63.229999999999997 110.823 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.643 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.8 Cg_endo -69.78 -7.66 21.63 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.687 2.258 . . . . 73.129999999999995 112.331 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -97.72 -17.19 19.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 74.430000000000007 110.879 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.607 HD11 ' HE1' ' A' ' 200' ' ' PLM . 27.5 mt -50.98 -38.85 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 75.540000000000006 111.139 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.65 -39.59 93.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 64.219999999999999 111.08 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -50.82 -32.71 20.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 64.310000000000002 110.897 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.678 HD23 ' HG3' ' A' ' 15' ' ' ARG . 6.7 mt -66.65 171.86 4.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.038 -0.528 . . . . 61.520000000000003 110.936 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 13.8 tttm . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 61.549999999999997 110.887 179.754 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 200' ' ' PLM . . . . . 0.759 ' HA1' HD23 ' A' ' 102' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 mmt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.763 0.316 . . . . 63.32 110.853 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.82 129.42 36.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 54.229999999999997 110.844 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.94 165.74 8.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 75.019999999999996 110.917 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -58.08 9.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 74.230000000000004 110.891 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.4 p -45.58 -29.5 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 54.530000000000001 110.861 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -54.08 -50.55 66.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.073 -0.512 . . . . 71.010000000000005 110.847 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -54.79 -40.34 69.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 65.439999999999998 110.852 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.565 HG21 ' C ' ' A' ' 71' ' ' MET . 48.1 t -56.71 -58.08 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 74.299999999999997 111.127 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -48.89 -42.41 36.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 72.030000000000001 110.875 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.9 -47.82 83.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 71.400000000000006 111.154 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 6.7 mmpt? -56.14 -49.94 72.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 75.319999999999993 110.854 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.729 HG23 ' H82' ' A' ' 200' ' ' PLM . 57.7 mt -54.28 -47.53 68.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 74.530000000000001 111.128 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.428 ' HA ' ' HG ' ' A' ' 16' ' ' LEU . . . -66.41 -53.57 34.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 65.530000000000001 111.04 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -54.32 -26.18 28.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.279 -0.419 . . . . 74.230000000000004 110.88 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -32.88 59.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 74.549999999999997 110.92 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.476 ' HB3' HD12 ' A' ' 19' ' ' ILE . 8.3 mt -64.67 -28.72 69.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 71.150000000000006 110.909 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -55.46 -23.01 23.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 73.030000000000001 110.893 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.4 -28.56 52.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 62.030000000000001 110.912 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.488 HD11 ' H42' ' A' ' 200' ' ' PLM . 40.6 mt -50.64 104.82 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 72.510000000000005 111.115 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.63 151.54 40.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.529 0.681 . . . . 72.219999999999999 110.949 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -29.16 23.95 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.709 2.273 . . . . 73.519999999999996 112.279 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.84 -4.03 35.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 74.400000000000006 111.049 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -164.19 104.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.324 -0.398 . . . . 71.219999999999999 110.916 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.5 mmm-85 -111.03 -169.54 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 73.040000000000006 110.904 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.77 ' O ' HG12 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -163.93 83.47 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 73.400000000000006 110.891 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.77 HG12 ' O ' ' A' ' 25' ' ' GLN . 1.0 OUTLIER 52.25 137.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 62.439999999999998 111.172 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.68 127.04 14.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 64.430000000000007 110.933 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.608 ' O ' HD13 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -161.21 176.81 10.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 70.019999999999996 110.867 -179.895 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.4 t -86.86 124.15 40.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 54.229999999999997 111.167 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.432 ' CD2' HD11 ' A' ' 48' ' ' LEU . 12.4 m-85 -109.79 171.11 7.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 71.040000000000006 110.883 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.611 ' HB2' ' HB3' ' A' ' 60' ' ' ALA . 0.2 OUTLIER -131.45 133.3 45.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.115 -0.493 . . . . 74.420000000000002 110.892 179.902 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.4 116.08 17.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 73.129999999999995 110.877 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.513 ' CB ' HG23 ' A' ' 65' ' ' THR . 1.1 mtt180 -104.73 136.09 44.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 75.140000000000001 110.902 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.597 ' O ' HG22 ' A' ' 41' ' ' VAL . 20.6 mm -111.43 90.38 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 73.200000000000003 111.124 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.689 HG22 ' HA ' ' A' ' 40' ' ' VAL . 30.1 p -102.31 154.58 18.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 73.349999999999994 111.108 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -125.29 97.91 5.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 63.409999999999997 110.909 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.5 -46.84 1.77 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 64.450000000000003 112.544 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -177.45 -29.81 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.7 -0.762 . . . . 74.120000000000005 112.442 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.49 148.82 24.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 62.520000000000003 110.912 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.689 ' HA ' HG22 ' A' ' 35' ' ' THR . 9.5 p -80.4 151.04 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 63.310000000000002 111.186 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 34' ' ' ILE . 20.6 m -125.19 -20.13 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 44.340000000000003 111.176 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.99 156.56 22.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 64.319999999999993 110.87 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -108.0 157.74 17.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 72.109999999999999 110.862 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.461 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -144.62 142.13 29.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 73.329999999999998 110.984 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 56' ' ' SER . 30.0 t -129.66 141.57 46.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 60.539999999999999 111.111 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.408 ' SD ' HD21 ' A' ' 53' ' ' LEU . 1.7 tpp -101.82 109.71 21.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 72.040000000000006 110.893 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.17 86.89 7.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 72.400000000000006 110.904 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.608 HD13 ' O ' ' A' ' 28' ' ' HIS . 2.7 mp -76.47 -9.35 58.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 74.540000000000006 110.889 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -83.15 -54.03 5.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 64.209999999999994 110.9 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.43 -5.79 59.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 41.399999999999999 110.857 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.1 t 67.46 44.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 71.439999999999998 111.177 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -148.67 166.94 26.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 73.310000000000002 110.886 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.408 HD21 ' SD ' ' A' ' 46' ' ' MET . 4.2 mp -116.9 139.05 51.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 71.219999999999999 110.94 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.2 m -137.06 163.3 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 72.400000000000006 111.102 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.461 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 0.6 OUTLIER -98.12 106.89 19.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 73.519999999999996 110.928 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.809 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -166.97 166.3 15.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 73.409999999999997 110.873 -179.779 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.23 118.34 23.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 71.219999999999999 110.817 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.504 ' OD2' HG21 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -147.73 163.21 37.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 62.329999999999998 110.893 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.67 92.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 64.140000000000001 111.097 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.611 ' HB3' ' HB2' ' A' ' 31' ' ' LYS . . . -94.33 155.96 16.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 60.25 111.149 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -63.88 -17.06 62.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 63.549999999999997 110.927 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.558 ' HB2' HD13 ' A' ' 98' ' ' LEU . . . -146.51 124.53 12.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 60.229999999999997 111.129 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.463 HG23 ' HE2' ' A' ' 31' ' ' LYS . 44.6 m -100.23 128.17 46.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 73.239999999999995 111.14 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.666 ' HA ' HG12 ' A' ' 92' ' ' VAL . 0.8 OUTLIER -125.44 104.88 8.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 42.200000000000003 110.841 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.513 HG23 ' CB ' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -98.42 131.28 44.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 74.439999999999998 111.195 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.715 ' HG2' HG21 ' A' ' 70' ' ' ILE . 6.3 mtt -158.01 159.53 36.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 74.319999999999993 110.833 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.409 ' O ' ' HB ' ' A' ' 70' ' ' ILE . 50.0 mt-10 -92.19 158.43 16.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 74.439999999999998 110.91 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.07 -56.32 15.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 75.340000000000003 110.848 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.9 -36.83 63.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 74.019999999999996 110.864 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.715 HG21 ' HG2' ' A' ' 66' ' ' MET . 13.4 mm -61.78 -43.32 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 73.310000000000002 111.146 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.565 ' C ' HG21 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -50.94 -39.24 54.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 75.0 110.819 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -70.06 -31.52 69.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 63.32 110.828 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.36 -59.33 2.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 72.109999999999999 111.084 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 81.5 mt -70.31 -46.15 72.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.271 -0.422 . . . . 62.020000000000003 111.097 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.53 -37.22 32.71 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 54.009999999999998 112.508 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 59.9 p -90.36 -13.05 35.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.828 0.347 . . . . 74.329999999999998 111.099 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.86 27.24 54.15 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.673 -0.775 . . . . 72.340000000000003 112.516 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.67 -40.08 66.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.783 0.325 . . . . 51.420000000000002 111.086 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.8 mt -120.69 151.76 54.79 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.592 0.71 . . . . 75.140000000000001 110.904 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 129.28 17.37 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.631 2.221 . . . . 72.450000000000003 112.358 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.4 ' HB1' ' HE3' ' A' ' 85' ' ' MET . . . -65.61 -28.52 69.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 35.219999999999999 111.104 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.18 -56.87 5.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 64.019999999999996 110.887 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.54 -44.23 96.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 73.200000000000003 110.9 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.03 -51.04 57.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 63.32 111.099 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.4 ' HE3' ' HB1' ' A' ' 81' ' ' ALA . 3.1 mtt -76.22 -26.49 56.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 72.329999999999998 110.872 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.08 -32.84 71.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 44.200000000000003 111.145 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -89.9 28.3 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 63.450000000000003 110.902 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.1 t0 47.44 27.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.430000000000007 110.886 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.07 3.03 44.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 64.209999999999994 110.88 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.06 149.16 25.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 63.100000000000001 110.917 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -119.01 108.51 14.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 65.450000000000003 110.862 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.666 HG12 ' HA ' ' A' ' 64' ' ' LEU . 3.1 m -127.37 139.63 51.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 74.540000000000006 111.114 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -131.02 112.99 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 71.329999999999998 110.869 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.61 167.74 27.73 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.692 -0.766 . . . . 62.439999999999998 112.48 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -54.7 119.25 5.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.869 0.366 . . . . 74.109999999999999 110.882 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.0 t -42.47 -38.77 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 73.329999999999998 111.088 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -63.26 -49.96 72.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 74.25 110.92 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.558 HD13 ' HB2' ' A' ' 62' ' ' ALA . 80.5 mt -48.3 -55.05 11.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.102 -0.499 . . . . 75.129999999999995 110.889 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.495 HG22 HD21 ' A' ' 64' ' ' LEU . 2.9 pp -71.04 -20.05 21.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 70.209999999999994 111.127 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.43 ' N ' HD12 ' A' ' 99' ' ' ILE . 89.7 t80 -83.52 -13.46 54.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 72.329999999999998 110.864 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.496 ' HG ' HG11 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -75.26 -37.31 61.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 65.230000000000004 110.907 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.565 HD23 ' HA1' ' A' ' 200' ' ' PLM . 6.4 mp -86.95 -3.4 59.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 74.319999999999993 110.968 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.641 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 7.7 mt-10 -63.73 -52.31 59.11 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.583 0.706 . . . . 63.229999999999997 110.869 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.641 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.0 Cg_endo -69.82 -6.63 19.08 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.654 2.236 . . . . 73.129999999999995 112.314 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -93.67 -17.23 23.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 74.430000000000007 110.829 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.676 HD11 ' HE1' ' A' ' 200' ' ' PLM . 8.7 mt -56.02 -41.47 68.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 75.540000000000006 111.175 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.0 99.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 64.219999999999999 111.127 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.0 m -51.48 -25.52 6.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.451 . . . . 64.310000000000002 110.838 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 15.4 mt -72.32 171.07 12.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 61.520000000000003 110.908 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 61.549999999999997 110.944 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 200' ' ' PLM . . . . . 0.729 ' H82' HG23 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mmt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.798 0.332 . . . . 63.32 110.84 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.41 126.7 8.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 54.229999999999997 110.892 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.61 164.87 0.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 75.019999999999996 110.929 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -58.99 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 74.230000000000004 110.97 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 p -45.04 -30.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 54.530000000000001 110.852 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -54.03 -50.95 65.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 71.010000000000005 110.904 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.57 -37.21 48.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 65.439999999999998 110.936 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.401 HG11 ' HG3' ' A' ' 71' ' ' MET . 91.6 t -61.99 -54.34 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 74.299999999999997 111.103 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -48.08 -44.91 32.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 72.030000000000001 110.893 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.66 -46.07 87.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 71.400000000000006 111.12 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -53.83 40.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 75.319999999999993 110.924 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.652 HG23 ' C8 ' ' A' ' 200' ' ' PLM . 52.6 mt -55.5 -48.21 77.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 74.530000000000001 111.165 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.824 ' HA ' HD23 ' A' ' 16' ' ' LEU . . . -60.9 -55.21 35.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 65.530000000000001 111.156 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -55.72 -30.08 60.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 74.230000000000004 110.869 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.539 ' HG3' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -77.24 -36.56 54.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 74.549999999999997 110.861 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.824 HD23 ' HA ' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -71.64 -19.13 62.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 71.150000000000006 110.9 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 13' ' ' ALA . 35.3 mt-10 -87.03 -9.76 54.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 73.030000000000001 110.899 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.2 t -74.08 -42.98 59.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 62.030000000000001 110.819 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.67 HG22 ' HD2' ' A' ' 24' ' ' ARG . 2.0 mp -47.75 104.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 72.510000000000005 111.163 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.21 144.64 91.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 72.219999999999999 110.873 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 -11.87 31.78 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.776 2.317 . . . . 73.519999999999996 112.354 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.25 -4.83 52.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 74.400000000000006 111.132 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -173.09 104.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 71.219999999999999 110.916 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.67 ' HD2' HG22 ' A' ' 19' ' ' ILE . 39.0 mmm-85 -108.65 178.53 4.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 73.040000000000006 110.894 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -108.3 -83.06 0.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 73.400000000000006 110.973 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.1 p -131.45 118.9 41.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 62.439999999999998 111.14 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -102.86 125.93 49.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.217 -0.447 . . . . 64.430000000000007 110.893 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.73 179.19 3.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 70.019999999999996 110.856 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.577 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 71.0 t -101.31 121.74 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 54.229999999999997 111.084 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -107.29 161.58 14.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 71.040000000000006 110.891 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.496 ' HD2' HG23 ' A' ' 63' ' ' THR . 1.9 ttmt -126.78 138.46 53.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 74.420000000000002 110.887 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.793 ' CE2' HD13 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -136.51 120.78 17.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 73.129999999999995 110.841 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.575 ' C ' HD13 ' A' ' 34' ' ' ILE . 4.7 mtt180 -118.49 140.12 50.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 75.140000000000001 110.923 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.575 HD13 ' C ' ' A' ' 33' ' ' ARG . 7.8 mm -114.29 90.51 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 73.200000000000003 111.179 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.734 HG22 ' CA ' ' A' ' 40' ' ' VAL . 66.9 p -95.1 139.66 31.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 73.349999999999994 111.121 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -108.74 97.96 7.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 63.409999999999997 110.874 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.9 -43.49 2.28 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.789 -0.72 . . . . 64.450000000000003 112.482 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.17 -25.7 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 74.120000000000005 112.478 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -103.12 153.72 20.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.806 0.336 . . . . 62.520000000000003 110.93 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.734 ' CA ' HG22 ' A' ' 35' ' ' THR . 11.9 p -84.9 145.23 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 63.310000000000002 111.104 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 34' ' ' ILE . 5.2 m -125.58 -5.19 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 44.340000000000003 111.152 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.65 165.11 16.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 64.319999999999993 110.899 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -126.43 149.84 49.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 72.109999999999999 110.898 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.511 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -137.74 146.47 43.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.168 -0.469 . . . . 73.329999999999998 110.961 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 56' ' ' SER . 23.2 t -137.87 135.05 45.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 60.539999999999999 111.121 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.633 ' HG3' HD21 ' A' ' 53' ' ' LEU . 1.8 ttm -100.48 113.85 26.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 72.040000000000006 110.911 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.36 85.02 5.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 72.400000000000006 110.863 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.511 HD21 ' H51' ' A' ' 200' ' ' PLM . 11.7 mt -80.31 -9.38 59.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 74.540000000000006 110.901 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.51 -47.32 17.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 64.209999999999994 110.841 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.7 -3.12 46.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 41.399999999999999 110.858 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.651 ' C ' HD11 ' A' ' 16' ' ' LEU . 3.3 t 69.11 48.71 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 71.439999999999998 111.133 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -148.79 164.63 33.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 73.310000000000002 110.907 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.672 HD12 HD23 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -119.97 139.82 51.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 71.219999999999999 110.953 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.3 m -140.51 166.77 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.454 . . . . 72.400000000000006 111.153 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.511 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.8 pm0 -105.5 108.17 19.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 73.519999999999996 110.857 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.879 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -168.83 169.54 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 73.409999999999997 110.854 -179.825 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.67 115.19 17.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 71.219999999999999 110.838 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -156.74 171.95 19.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 62.329999999999998 110.87 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.3 150.3 1.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 64.140000000000001 111.083 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.577 ' HB1' ' O ' ' A' ' 29' ' ' VAL . . . -170.89 145.12 2.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 60.25 111.113 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -64.35 -14.78 58.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 63.549999999999997 110.835 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -143.27 150.98 40.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 60.229999999999997 111.095 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.496 HG23 ' HD2' ' A' ' 31' ' ' LYS . 87.8 m -140.81 136.42 32.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 73.239999999999995 111.133 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.793 HD13 ' CE2' ' A' ' 32' ' ' PHE . 1.9 mp -129.1 104.56 7.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 42.200000000000003 110.92 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.421 ' C ' ' HG3' ' A' ' 66' ' ' MET . 38.3 m -112.17 139.88 47.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 74.439999999999998 111.136 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.421 ' HG3' ' C ' ' A' ' 65' ' ' THR . 0.0 OUTLIER 177.35 -174.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 74.319999999999993 110.894 179.817 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -80.21 160.04 25.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 74.439999999999998 110.891 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.46 ' OD2' HG21 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -63.46 -44.83 93.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 75.340000000000003 110.951 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -49.84 -24.23 2.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 74.019999999999996 110.832 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 19.9 mm -70.36 -23.64 24.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.186 -0.461 . . . . 73.310000000000002 111.112 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.401 ' HG3' HG11 ' A' ' 8' ' ' VAL . 28.2 tpp -61.83 -50.74 71.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 75.0 110.927 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.486 ' C ' ' CD1' ' A' ' 72' ' ' PHE . 4.2 p90 -74.4 -28.0 60.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 63.32 110.88 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.66 -59.29 3.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 72.109999999999999 111.123 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.703 HD11 ' HE1' ' A' ' 90' ' ' MET . 62.9 mt -79.16 -39.95 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 62.020000000000003 111.17 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.645 ' O ' HD12 ' A' ' 109' ' ' LEU . . . -50.25 -40.97 38.45 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 54.009999999999998 112.465 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 72.4 p -86.28 -11.71 51.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.75 0.31 . . . . 74.329999999999998 111.107 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.49 23.59 67.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.764 -0.731 . . . . 72.340000000000003 112.476 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.84 -44.2 73.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 51.420000000000002 111.089 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.1 mt -118.14 149.87 46.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.683 0.754 . . . . 75.140000000000001 110.842 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 131.08 20.46 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.634 2.222 . . . . 72.450000000000003 112.336 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.759 ' HB1' ' HE1' ' A' ' 85' ' ' MET . . . -65.41 -28.24 69.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.419 . . . . 35.219999999999999 111.045 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -71.41 -56.98 4.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 64.019999999999996 110.912 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -63.06 -46.93 85.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.309 -0.405 . . . . 73.200000000000003 110.887 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.01 -52.53 41.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 63.32 111.058 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.759 ' HE1' ' HB1' ' A' ' 81' ' ' ALA . 9.9 mtm -72.57 -26.66 61.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.424 . . . . 72.329999999999998 110.866 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.13 -23.2 63.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 44.200000000000003 111.078 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -85.83 28.99 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 63.450000000000003 110.928 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 49.02 26.86 1.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 74.430000000000007 110.909 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.08 -59.41 2.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 64.209999999999994 110.889 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.703 ' HE1' HD11 ' A' ' 74' ' ' ILE . 0.7 OUTLIER -99.83 152.75 19.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 63.100000000000001 110.844 179.892 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -124.91 109.55 13.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 65.450000000000003 110.883 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.6 p -118.6 142.4 33.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 74.540000000000006 111.111 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -133.44 112.6 11.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 71.329999999999998 110.849 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.06 167.85 27.33 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.695 -0.764 . . . . 62.439999999999998 112.445 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.54 116.55 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 74.109999999999999 110.925 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.5 t -42.09 -39.35 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 73.329999999999998 111.187 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.34 -47.97 74.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.25 110.881 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 55.0 mt -48.62 -54.52 14.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 75.129999999999995 110.945 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.539 HD12 ' N ' ' A' ' 100' ' ' PHE . 2.8 pp -72.38 -28.79 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 70.209999999999994 111.086 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.539 ' N ' HD12 ' A' ' 99' ' ' ILE . 93.9 t80 -70.52 -13.0 61.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 72.329999999999998 110.91 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.37 -35.5 58.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 65.230000000000004 110.895 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.616 HD23 ' HA1' ' A' ' 200' ' ' PLM . 6.3 mp -87.25 -6.67 58.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 74.319999999999993 110.883 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.618 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 8.3 mt-10 -63.12 -53.82 51.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.622 0.725 . . . . 63.229999999999997 110.87 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.618 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.9 Cg_endo -69.76 -6.95 19.82 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.648 2.232 . . . . 73.129999999999995 112.376 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -96.68 -17.79 20.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 74.430000000000007 110.896 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.732 HD11 ' HE1' ' A' ' 200' ' ' PLM . 20.4 mt -57.77 -40.91 78.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 75.540000000000006 111.108 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.17 -37.9 84.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 64.219999999999999 111.07 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.97 -30.38 14.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 64.310000000000002 110.862 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.645 HD12 ' O ' ' A' ' 75' ' ' GLY . 17.5 mt -66.61 171.58 4.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 61.520000000000003 110.902 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 11.5 mttt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 61.549999999999997 110.927 179.804 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 200' ' ' PLM . . . . . 0.732 ' HE1' HD11 ' A' ' 106' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.791 0.329 . . . . 63.32 110.889 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m -110.21 135.0 51.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 54.229999999999997 110.877 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -57.99 167.33 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 75.019999999999996 110.978 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -69.66 -62.5 1.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 74.230000000000004 110.895 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 p -45.02 -30.35 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 54.530000000000001 110.85 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.08 -50.62 66.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 71.010000000000005 110.866 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.21 -39.31 63.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 65.439999999999998 110.845 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.596 HG21 ' C ' ' A' ' 71' ' ' MET . 73.8 t -58.92 -58.67 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.299999999999997 111.121 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -48.83 -45.12 40.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 72.030000000000001 110.873 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.39 -43.59 98.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 71.400000000000006 111.114 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -58.49 -50.53 73.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 75.319999999999993 110.941 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.71 HG23 ' H82' ' A' ' 200' ' ' PLM . 71.3 mt -55.84 -56.68 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.530000000000001 111.091 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.91 -52.71 48.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 65.530000000000001 111.129 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -54.76 -26.71 36.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 74.230000000000004 110.883 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.26 -33.48 59.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 74.549999999999997 110.93 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.643 ' HB3' HD12 ' A' ' 19' ' ' ILE . 11.0 mt -67.03 -21.84 65.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 71.150000000000006 110.928 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -53.96 -25.31 20.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 73.030000000000001 110.936 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.06 -23.85 41.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 62.030000000000001 110.845 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.823 HG23 ' CZ ' ' A' ' 24' ' ' ARG . 88.6 mt -49.61 104.4 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 72.510000000000005 111.108 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.01 143.25 27.59 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.561 0.696 . . . . 72.219999999999999 110.858 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -14.9 36.59 Favored 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.728 2.285 . . . . 73.519999999999996 112.368 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.39 -7.08 51.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 74.400000000000006 111.13 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -173.44 103.98 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 71.219999999999999 110.88 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.823 ' CZ ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -122.73 175.42 6.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 73.040000000000006 110.848 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.477 ' HG2' HD22 ' A' ' 101' ' ' LEU . 1.0 OUTLIER -124.48 -66.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 73.400000000000006 110.893 -179.91 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 83.9 t -143.99 112.49 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 62.439999999999998 111.159 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -109.45 125.65 52.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 64.430000000000007 110.883 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.638 ' O ' HD13 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -170.11 178.94 3.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 70.019999999999996 110.908 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.6 t -91.75 127.61 43.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 54.229999999999997 111.072 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.415 ' OH ' HD22 ' A' ' 98' ' ' LEU . 6.6 m-85 -111.14 170.9 7.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.478 . . . . 71.040000000000006 110.928 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.576 ' HB2' ' HB3' ' A' ' 60' ' ' ALA . 7.4 ttpt -134.86 132.28 38.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 74.420000000000002 110.895 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.453 ' O ' ' N ' ' A' ' 44' ' ' TRP . 0.1 OUTLIER -128.88 114.49 16.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 73.129999999999995 110.892 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.639 ' HB3' HG23 ' A' ' 65' ' ' THR . 1.5 mtt180 -97.98 136.68 37.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 75.140000000000001 110.838 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.9 mm -115.47 106.73 21.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 73.200000000000003 111.141 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.641 HG22 ' HA ' ' A' ' 40' ' ' VAL . 6.0 p -107.12 138.0 44.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 73.349999999999994 111.131 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.74 97.6 7.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 63.409999999999997 110.931 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.39 -53.55 4.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.729 . . . . 64.450000000000003 112.559 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.09 -23.88 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.783 -0.722 . . . . 74.120000000000005 112.513 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.17 135.63 47.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.335 . . . . 62.520000000000003 110.933 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.641 ' HA ' HG22 ' A' ' 35' ' ' THR . 7.6 p -58.03 127.66 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.415 . . . . 63.310000000000002 111.133 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.3 p -94.45 -31.94 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 44.340000000000003 111.103 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.41 151.12 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 64.319999999999993 110.921 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -95.08 158.98 15.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 72.109999999999999 110.875 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' PHE . 0.6 OUTLIER -138.15 149.86 46.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 73.329999999999998 110.923 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 56' ' ' SER . 27.9 t -130.36 141.2 46.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.413 . . . . 60.539999999999999 111.147 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.404 ' HB3' ' HB2' ' A' ' 30' ' ' TYR . 0.8 OUTLIER -104.93 103.73 13.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 72.040000000000006 110.881 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -83.04 89.54 6.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 72.400000000000006 110.825 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.638 HD13 ' O ' ' A' ' 28' ' ' HIS . 6.9 mp -77.33 -7.5 56.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 74.540000000000006 110.907 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -84.11 -55.75 4.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 64.209999999999994 110.886 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -84.71 -9.5 58.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 41.399999999999999 110.872 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.2 t 67.62 44.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 71.439999999999998 111.122 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -148.52 133.34 17.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 73.310000000000002 110.906 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.588 ' CD1' HD11 ' A' ' 16' ' ' LEU . 4.4 mp -84.57 137.17 33.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 71.219999999999999 110.949 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.9 m -138.13 163.83 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 72.400000000000006 111.104 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.434 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.7 pm0 -101.58 108.9 20.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 73.519999999999996 110.909 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.827 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -166.83 166.26 15.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 73.409999999999997 110.789 -179.76 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.89 117.7 23.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 71.219999999999999 110.899 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.39 164.22 36.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 62.329999999999998 110.892 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.54 91.5 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 64.140000000000001 111.128 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.576 ' HB3' ' HB2' ' A' ' 31' ' ' LYS . . . -94.39 151.3 19.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 60.25 111.133 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.15 -18.38 64.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 63.549999999999997 110.912 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.93 124.34 13.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.153 -0.476 . . . . 60.229999999999997 111.165 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.543 HG23 ' HE2' ' A' ' 31' ' ' LYS . 31.9 m -103.34 128.18 50.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 73.239999999999995 111.129 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.666 HD21 HG22 ' A' ' 99' ' ' ILE . 1.2 mp -124.51 104.81 8.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 42.200000000000003 110.945 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.639 HG23 ' HB3' ' A' ' 33' ' ' ARG . 1.3 m -96.64 130.22 43.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 74.439999999999998 111.087 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 31.3 mtt -157.88 158.4 35.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.319999999999993 110.869 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -93.21 161.85 14.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 74.439999999999998 110.84 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.5 -58.82 4.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 75.340000000000003 110.899 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.11 -42.58 60.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.217 -0.447 . . . . 74.019999999999996 110.863 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 70' ' ' ILE . 18.6 mm -58.01 -39.57 72.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 73.310000000000002 111.115 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.596 ' C ' HG21 ' A' ' 8' ' ' VAL . 10.8 mmt -58.95 -44.23 91.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 75.0 110.807 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -73.06 -30.47 63.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 63.32 110.83 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.19 -59.5 2.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 72.109999999999999 111.098 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.8 mt -71.49 -43.77 71.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 62.020000000000003 111.165 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -51.42 -35.3 35.77 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 54.009999999999998 112.501 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 81.3 p -89.3 -15.09 34.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.822 0.344 . . . . 74.329999999999998 111.084 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.34 25.51 56.94 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 72.340000000000003 112.525 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.34 -41.09 49.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 51.420000000000002 111.136 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.3 mt -118.85 152.79 52.08 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.637 0.732 . . . . 75.140000000000001 110.863 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 123.41 10.09 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.675 2.25 . . . . 72.450000000000003 112.329 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.527 ' HB1' ' HE1' ' A' ' 85' ' ' MET . . . -63.32 -31.56 72.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 35.219999999999999 111.16 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp -67.86 -54.53 18.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 64.019999999999996 110.901 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -59.11 -44.49 91.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 73.200000000000003 110.861 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.9 -50.47 57.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 63.32 111.06 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.527 ' HE1' ' HB1' ' A' ' 81' ' ' ALA . 5.9 mtt -76.79 -26.6 54.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 72.329999999999998 110.946 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.46 -31.43 70.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 44.200000000000003 111.095 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -89.01 28.34 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 63.450000000000003 110.92 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 48.06 27.65 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 74.430000000000007 110.866 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -87.49 2.24 51.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 64.209999999999994 110.862 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -159.29 153.07 23.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 63.100000000000001 110.914 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -122.55 108.45 13.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 65.450000000000003 110.876 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 70.3 t -119.8 140.12 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 74.540000000000006 111.117 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -133.15 113.22 12.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 71.329999999999998 110.846 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.68 167.84 27.96 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 62.439999999999998 112.534 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.473 ' HB2' HD12 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -54.47 115.27 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 74.109999999999999 110.917 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.6 t -43.03 -43.72 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 73.329999999999998 111.14 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -49.48 76.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 74.25 110.896 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.788 ' HA ' HD12 ' A' ' 101' ' ' LEU . 77.8 mt -48.4 -54.12 15.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 75.129999999999995 110.888 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.666 HG22 HD21 ' A' ' 64' ' ' LEU . 41.1 pt -69.95 -23.12 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 70.209999999999994 111.195 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -79.5 -15.78 57.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 72.329999999999998 110.868 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.788 HD12 ' HA ' ' A' ' 98' ' ' LEU . 8.6 mt -76.19 -38.68 56.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 65.230000000000004 110.88 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.765 HD23 ' HA1' ' A' ' 200' ' ' PLM . 8.5 mp -84.04 -7.08 59.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 74.319999999999993 110.935 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.626 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 8.5 mt-10 -62.47 -53.28 58.97 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.66 0.743 . . . . 63.229999999999997 110.857 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.4 Cg_endo -69.69 -7.68 21.66 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.701 2.267 . . . . 73.129999999999995 112.293 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -98.85 -17.02 18.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.286 -0.416 . . . . 74.430000000000007 110.923 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.619 HD11 ' HE1' ' A' ' 200' ' ' PLM . 49.0 mt -49.31 -41.82 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 75.540000000000006 111.094 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.6 -40.68 84.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 64.219999999999999 111.115 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.627 ' O ' ' C ' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -65.02 -25.1 67.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 64.310000000000002 110.851 -179.826 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.627 ' C ' ' O ' ' A' ' 108' ' ' SER . 0.2 OUTLIER -14.69 94.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 61.520000000000003 110.925 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.5 tttt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 61.549999999999997 110.932 179.864 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 200' ' ' PLM . . . . . 0.765 ' HA1' HD23 ' A' ' 102' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.874 0.368 . . . . 63.32 110.84 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -65.98 137.9 57.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 54.229999999999997 110.921 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.98 160.66 24.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 75.019999999999996 110.904 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.03 -60.36 3.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 74.230000000000004 110.902 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.421 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -44.73 -32.05 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 54.530000000000001 110.817 -179.876 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -54.27 -49.6 69.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 71.010000000000005 110.924 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -52.03 -37.3 53.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 65.439999999999998 110.875 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.714 HG11 ' HG3' ' A' ' 71' ' ' MET . 95.7 t -52.41 -60.11 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 74.299999999999997 111.172 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -49.64 -44.26 47.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 72.030000000000001 110.903 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.31 -42.0 98.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 71.400000000000006 111.11 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -60.24 -53.71 54.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 75.319999999999993 110.907 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.705 HG13 HD21 ' A' ' 109' ' ' LEU . 47.7 mt -54.45 -54.99 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 74.530000000000001 111.182 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.72 -52.26 63.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 65.530000000000001 111.066 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -54.12 -30.23 48.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 74.230000000000004 110.899 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.28 -33.89 65.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 74.549999999999997 110.931 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.573 ' HB3' HD12 ' A' ' 19' ' ' ILE . 10.4 mt -67.47 -20.79 65.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 71.150000000000006 110.863 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -56.88 -24.03 48.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 73.030000000000001 110.868 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 m -81.16 -18.26 46.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 62.030000000000001 110.877 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.777 HG23 ' CZ ' ' A' ' 24' ' ' ARG . 89.5 mt -50.31 104.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 72.510000000000005 111.15 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.09 143.93 29.75 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.61 0.719 . . . . 72.219999999999999 110.861 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -14.39 36.16 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.75 2.3 . . . . 73.519999999999996 112.311 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.77 -7.29 52.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 74.400000000000006 111.101 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -174.52 104.41 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 71.219999999999999 110.83 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.777 ' CZ ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -124.57 177.12 6.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 73.040000000000006 110.777 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.42 ' OE1' HD22 ' A' ' 101' ' ' LEU . 43.1 mt-30 -119.28 -40.85 2.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 73.400000000000006 110.923 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 p -176.85 131.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 62.439999999999998 111.118 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -110.36 125.16 52.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 64.430000000000007 110.838 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -170.68 179.09 3.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 70.019999999999996 110.801 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.3 t -100.84 133.38 44.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.222 -0.445 . . . . 54.229999999999997 111.138 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.56 ' OH ' HD22 ' A' ' 98' ' ' LEU . 12.1 m-85 -121.36 160.51 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 71.040000000000006 110.923 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -127.28 135.36 50.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 74.420000000000002 110.966 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.85 122.49 36.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 73.129999999999995 110.83 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.693 ' HB2' HG23 ' A' ' 65' ' ' THR . 43.0 mtp180 -107.14 130.7 54.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 75.140000000000001 110.915 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.41 HG13 ' HE1' ' A' ' 71' ' ' MET . 24.5 mm -111.01 90.41 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 73.200000000000003 111.09 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.805 HG23 ' HA ' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -85.57 164.94 17.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 73.349999999999994 111.158 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -129.06 96.63 4.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 63.409999999999997 110.89 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.68 -48.77 2.3 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.8 -0.714 . . . . 64.450000000000003 112.462 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 165.13 3.46 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.807 -0.711 . . . . 74.120000000000005 112.53 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.455 ' C ' ' CG2' ' A' ' 35' ' ' THR . 1.3 mtmt -123.93 123.45 40.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.799 0.333 . . . . 62.520000000000003 110.911 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.805 ' HA ' HG23 ' A' ' 35' ' ' THR . 7.4 p -44.91 130.99 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 63.310000000000002 111.203 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 m -125.62 -33.24 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 44.340000000000003 111.053 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.56 158.54 37.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 64.319999999999993 110.859 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.86 151.03 39.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 72.109999999999999 110.886 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.423 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -135.56 149.02 49.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 73.329999999999998 110.907 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.62 HG23 ' CG2' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -123.5 143.44 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 60.539999999999999 111.133 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.24 100.35 11.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 72.040000000000006 110.862 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.46 80.86 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 72.400000000000006 110.905 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.425 HD13 ' HD1' ' A' ' 30' ' ' TYR . 5.0 mp -72.63 -11.67 60.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 74.540000000000006 110.945 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.8 -52.82 6.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 64.209999999999994 110.962 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -84.5 -6.4 59.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 41.399999999999999 110.837 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.42 HG12 ' HB2' ' A' ' 16' ' ' LEU . 3.4 t 68.99 46.23 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 71.439999999999998 111.136 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.86 166.88 27.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 73.310000000000002 110.854 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.9 mp -124.23 104.89 9.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 71.219999999999999 110.947 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.62 ' CG2' HG23 ' A' ' 45' ' ' VAL . 3.0 m -103.45 174.57 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 72.400000000000006 111.136 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.423 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.4 pm0 -106.97 110.75 22.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 73.519999999999996 110.916 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.421 ' N ' HG22 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -169.04 165.69 11.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 73.409999999999997 110.805 -179.706 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.66 115.67 22.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.499 . . . . 71.219999999999999 110.887 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -155.53 168.06 28.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 62.329999999999998 110.898 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.43 159.23 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 64.140000000000001 111.087 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -169.01 142.37 2.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 60.25 111.126 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.56 -23.54 67.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 63.549999999999997 110.924 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -140.05 124.15 17.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 60.229999999999997 111.048 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 83.2 m -103.57 128.48 50.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 73.239999999999995 111.101 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.449 HD11 HG22 ' A' ' 99' ' ' ILE . 0.5 OUTLIER -125.31 119.0 27.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 42.200000000000003 110.879 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.693 HG23 ' HB2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -114.51 130.76 56.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 74.439999999999998 111.136 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.624 ' HG2' HG21 ' A' ' 70' ' ' ILE . 4.1 mtm -154.02 140.7 18.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 74.319999999999993 110.884 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -74.02 154.05 39.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 74.439999999999998 110.9 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.95 -53.65 18.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 75.340000000000003 110.904 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.4 ' O ' ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -50.65 -30.04 12.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 74.019999999999996 110.894 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.624 HG21 ' HG2' ' A' ' 66' ' ' MET . 19.1 mm -83.42 -23.13 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 73.310000000000002 111.141 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.714 ' HG3' HG11 ' A' ' 8' ' ' VAL . 2.6 ttp -60.05 -51.27 70.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 75.0 110.955 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.484 ' C ' ' CD1' ' A' ' 72' ' ' PHE . 3.3 p90 -72.17 -28.68 63.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 63.32 110.933 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.96 -59.72 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 72.109999999999999 111.105 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 57.9 mt -72.18 -40.61 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 62.020000000000003 111.17 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.55 -39.28 53.18 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.757 -0.735 . . . . 54.009999999999998 112.398 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 71.3 p -94.42 7.53 45.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 74.329999999999998 111.206 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 58.48 29.66 63.93 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.747 -0.74 . . . . 72.340000000000003 112.522 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.19 -40.31 68.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.768 0.318 . . . . 51.420000000000002 111.064 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 25.6 mt -118.62 155.57 52.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.51 0.671 . . . . 75.140000000000001 110.969 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 123.11 9.77 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.685 2.257 . . . . 72.450000000000003 112.31 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.419 ' HB1' ' HE1' ' A' ' 85' ' ' MET . . . -62.14 -32.05 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 35.219999999999999 111.102 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -69.31 -57.2 5.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 64.019999999999996 110.913 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.55 -43.58 84.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 73.200000000000003 110.921 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.475 ' HB1' ' SD ' ' A' ' 90' ' ' MET . . . -51.06 -51.12 56.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 63.32 111.094 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.419 ' HE1' ' HB1' ' A' ' 81' ' ' ALA . 5.5 mtt -75.85 -26.8 57.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 72.329999999999998 110.886 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.18 -32.07 70.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 44.200000000000003 111.119 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -90.09 27.67 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 63.450000000000003 110.853 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 46.48 29.83 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 74.430000000000007 110.861 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.83 10.07 36.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 64.209999999999994 110.944 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.475 ' SD ' ' HB1' ' A' ' 84' ' ' ALA . 1.6 mtm -154.39 144.6 22.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 63.100000000000001 110.868 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -119.97 108.7 14.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 65.450000000000003 110.887 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.8 p -128.58 141.13 47.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 74.540000000000006 111.171 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -131.59 113.48 13.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 71.329999999999998 110.836 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.9 167.92 28.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 62.439999999999998 112.488 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.511 ' HB2' HD12 ' A' ' 98' ' ' LEU . 2.1 tp60 -54.26 118.51 4.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.348 . . . . 74.109999999999999 110.957 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 99' ' ' ILE . 79.9 t -42.55 -42.61 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 73.329999999999998 111.155 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -62.98 -48.72 77.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 74.25 110.925 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.56 HD22 ' OH ' ' A' ' 30' ' ' TYR . 79.1 mt -48.7 -54.82 13.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 75.129999999999995 110.963 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.521 HD12 ' N ' ' A' ' 100' ' ' PHE . 2.8 pp -72.34 -27.11 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 70.209999999999994 111.191 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.521 ' N ' HD12 ' A' ' 99' ' ' ILE . 93.3 t80 -72.64 -15.11 61.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 72.329999999999998 110.862 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 98' ' ' LEU . 22.1 mt -75.72 -34.02 60.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 65.230000000000004 110.899 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.538 HD23 ' HA1' ' A' ' 200' ' ' PLM . 7.5 mp -84.64 -8.59 58.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 74.319999999999993 110.926 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.632 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 23.1 mt-10 -63.07 -53.11 57.73 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.677 0.751 . . . . 63.229999999999997 110.945 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.7 Cg_endo -69.74 -7.75 21.85 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 73.129999999999995 112.413 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -97.73 -17.23 19.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 74.430000000000007 110.874 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.613 HD11 ' HE1' ' A' ' 200' ' ' PLM . 24.2 mt -51.9 -45.58 39.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 75.540000000000006 111.13 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.74 -35.87 77.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 64.219999999999999 111.134 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.0 m -50.6 -29.49 11.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 64.310000000000002 110.884 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.705 HD21 HG13 ' A' ' 12' ' ' ILE . 8.1 mp -71.39 171.22 11.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 61.520000000000003 110.94 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 61.549999999999997 110.935 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 200' ' ' PLM . . . . . 0.689 ' H82' HG23 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.8 0.333 . . . . 63.32 110.875 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -120.91 122.22 39.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 54.229999999999997 110.947 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.95 176.34 3.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 75.019999999999996 110.949 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -63.11 1.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 74.230000000000004 110.892 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.0 p -44.3 -31.25 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 54.530000000000001 110.881 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -54.08 -50.54 66.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.127 -0.488 . . . . 71.010000000000005 110.892 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.69 -39.2 61.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 65.439999999999998 110.941 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.609 HG21 ' C ' ' A' ' 71' ' ' MET . 67.9 t -56.94 -59.69 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 74.299999999999997 111.087 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -48.92 -45.4 41.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 72.030000000000001 110.874 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.13 -48.98 79.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 71.400000000000006 111.145 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.422 ' HB3' ' HG ' ' A' ' 109' ' ' LEU . 0.3 OUTLIER -53.44 -50.57 64.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 75.319999999999993 110.929 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.49 ' CG1' HD21 ' A' ' 109' ' ' LEU . 12.6 mt -57.75 -56.36 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 74.530000000000001 111.132 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.46 -54.88 26.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 65.530000000000001 111.068 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -27.19 52.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 74.230000000000004 110.899 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.71 ' NH2' HD13 ' A' ' 109' ' ' LEU . 0.5 OUTLIER -76.85 -35.95 57.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 74.549999999999997 110.852 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.49 HD22 ' H42' ' A' ' 200' ' ' PLM . 61.3 mt -64.59 -22.62 67.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 71.150000000000006 110.905 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -54.22 -26.17 27.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 73.030000000000001 110.917 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.97 -21.15 57.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 62.030000000000001 110.92 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.81 HG23 ' CZ ' ' A' ' 24' ' ' ARG . 83.6 mt -48.58 104.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 72.510000000000005 111.186 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.66 144.14 30.0 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.551 0.691 . . . . 72.219999999999999 110.868 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.74 -11.11 30.19 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.686 2.258 . . . . 73.519999999999996 112.37 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.58 -12.61 60.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 74.400000000000006 111.058 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -172.08 117.09 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 71.219999999999999 110.902 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.81 ' CZ ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -130.01 -179.77 5.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 73.040000000000006 110.85 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -125.27 -40.28 2.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 73.400000000000006 110.959 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.521 ' O ' HG13 ' A' ' 26' ' ' VAL . 5.2 p -176.11 123.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 62.439999999999998 111.079 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -106.87 125.86 51.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.119 -0.491 . . . . 64.430000000000007 110.882 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.639 ' O ' HD13 ' A' ' 48' ' ' LEU . 21.2 p-80 -170.23 179.1 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 70.019999999999996 110.849 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.3 t -95.38 135.84 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 54.229999999999997 111.092 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.664 ' CD1' HD11 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -118.12 165.72 13.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 71.040000000000006 110.962 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.61 ' O ' HD12 ' A' ' 64' ' ' LEU . 1.8 ttmm -139.25 135.88 34.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 74.420000000000002 110.904 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.56 127.33 42.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 73.129999999999995 110.896 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.621 ' HB3' HG23 ' A' ' 65' ' ' THR . 8.6 mtt180 -106.55 139.27 41.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 75.140000000000001 110.863 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.531 HD13 ' O ' ' A' ' 33' ' ' ARG . 28.2 mm -121.13 130.16 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 73.200000000000003 111.135 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.57 HG22 ' HA ' ' A' ' 40' ' ' VAL . 6.6 p -122.97 138.26 54.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 73.349999999999994 111.09 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -152.09 105.79 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 63.409999999999997 110.877 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.21 12.49 21.7 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.778 -0.725 . . . . 64.450000000000003 112.554 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.67 -12.97 59.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 74.120000000000005 112.497 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.98 157.69 46.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 62.520000000000003 110.872 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.57 ' HA ' HG22 ' A' ' 35' ' ' THR . 6.3 p -56.82 124.41 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 63.310000000000002 111.157 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.0 p -87.8 -33.31 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 44.340000000000003 111.155 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.2 145.97 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 64.319999999999993 110.873 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.73 161.72 18.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 72.109999999999999 110.922 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.404 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -143.41 150.17 38.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 73.329999999999998 110.883 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.653 HG13 HG22 ' A' ' 54' ' ' VAL . 1.9 p -134.14 143.15 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 60.539999999999999 111.166 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -99.12 107.62 20.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 72.040000000000006 110.864 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -83.91 86.32 7.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 72.400000000000006 110.885 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.639 HD13 ' O ' ' A' ' 28' ' ' HIS . 5.8 mp -73.42 -7.31 51.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 74.540000000000006 111.0 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -84.08 -54.72 4.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 64.209999999999994 110.882 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.11 -9.11 58.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 41.399999999999999 110.941 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.473 HG13 ' HB3' ' A' ' 16' ' ' LEU . 5.9 t 67.13 43.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 71.439999999999998 111.187 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.2 tptm -149.85 134.83 17.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 73.310000000000002 110.88 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.1 mp -84.48 137.38 33.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 71.219999999999999 110.934 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.653 HG22 HG13 ' A' ' 45' ' ' VAL . 3.0 m -137.22 166.76 24.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.24 -0.437 . . . . 72.400000000000006 111.078 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.404 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -102.43 107.43 18.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 73.519999999999996 110.897 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.54 164.18 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 73.409999999999997 110.831 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.73 116.71 27.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 71.219999999999999 110.887 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.27 157.76 43.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 62.329999999999998 110.901 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.9 92.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 64.140000000000001 111.128 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.1 149.17 21.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 60.25 111.048 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.37 -23.24 67.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.476 . . . . 63.549999999999997 110.888 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.459 ' HB3' ' CE1' ' A' ' 30' ' ' TYR . . . -140.63 124.36 17.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 60.229999999999997 111.106 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 82.6 m -103.84 129.34 51.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 73.239999999999995 111.11 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.664 HD11 ' CD1' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -127.08 112.37 15.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 42.200000000000003 110.956 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.621 HG23 ' HB3' ' A' ' 33' ' ' ARG . 1.7 m -101.27 131.57 47.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 74.439999999999998 111.147 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.633 ' HG2' HG21 ' A' ' 70' ' ' ILE . 0.3 OUTLIER -157.99 156.81 31.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.299 -0.41 . . . . 74.319999999999993 110.885 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -89.01 162.82 15.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 74.439999999999998 110.91 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.37 -58.2 5.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 75.340000000000003 110.826 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.89 -43.36 59.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 74.019999999999996 110.868 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.633 HG21 ' HG2' ' A' ' 66' ' ' MET . 14.0 mm -55.22 -47.05 78.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 73.310000000000002 111.159 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.609 ' C ' HG21 ' A' ' 8' ' ' VAL . 0.6 OUTLIER -51.49 -43.46 62.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 75.0 110.891 179.845 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -70.18 -30.84 68.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 63.32 110.899 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.73 -59.93 2.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 72.109999999999999 111.017 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 52.0 mt -69.95 -44.2 78.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 62.020000000000003 111.1 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.509 ' O ' HD23 ' A' ' 109' ' ' LEU . . . -52.29 -37.78 48.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 54.009999999999998 112.5 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 43.1 p -92.67 -2.14 56.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.838 0.352 . . . . 74.329999999999998 111.137 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.79 29.63 73.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.771 -0.728 . . . . 72.340000000000003 112.492 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.42 -41.34 27.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.888 0.375 . . . . 51.420000000000002 111.073 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.7 mt -117.12 152.56 49.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.621 0.725 . . . . 75.140000000000001 110.967 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 120.92 7.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.661 2.241 . . . . 72.450000000000003 112.318 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.461 ' HB1' ' HE3' ' A' ' 85' ' ' MET . . . -60.91 -37.92 83.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 35.219999999999999 111.074 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.12 -56.9 10.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 64.019999999999996 110.897 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -44.86 82.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 73.200000000000003 110.902 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.35 -50.23 51.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 63.32 111.095 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.461 ' HE3' ' HB1' ' A' ' 81' ' ' ALA . 7.2 mtt -77.12 -26.6 53.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 72.329999999999998 110.89 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.64 -32.54 70.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 44.200000000000003 111.078 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -86.72 27.99 0.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 63.450000000000003 110.942 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 46.17 28.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 74.430000000000007 110.893 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -90.39 5.57 46.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 64.209999999999994 110.844 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.427 ' HG2' ' HG3' ' A' ' 66' ' ' MET . 1.1 mpp? -160.29 153.92 22.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 63.100000000000001 110.829 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -122.68 108.49 13.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 65.450000000000003 110.863 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.0 p -119.38 140.51 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 74.540000000000006 111.142 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -131.38 114.24 14.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 71.329999999999998 110.9 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.67 167.61 28.59 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.732 -0.747 . . . . 62.439999999999998 112.516 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.463 ' HB3' HD23 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -54.76 117.92 3.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 74.109999999999999 110.884 -179.871 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 67.9 t -43.65 -51.0 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 73.329999999999998 111.195 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -58.27 -49.79 75.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 74.25 110.945 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.614 HD12 ' NE2' ' A' ' 28' ' ' HIS . 1.7 mm? -48.45 -54.06 15.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 75.129999999999995 110.902 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.641 HG22 HD21 ' A' ' 64' ' ' LEU . 21.6 pt -71.29 -20.87 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 70.209999999999994 111.165 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -79.78 -13.74 59.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 72.329999999999998 110.838 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -75.87 -32.56 59.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 65.230000000000004 110.874 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.674 HD11 ' H52' ' A' ' 200' ' ' PLM . 3.0 mp -88.39 -5.74 58.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 74.319999999999993 110.905 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.629 ' HA ' HD12 ' A' ' 106' ' ' ILE . 15.9 mt-10 -67.27 -55.68 14.87 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.624 0.726 . . . . 63.229999999999997 110.939 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.576 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.1 Cg_endo -69.81 -6.26 18.19 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.622 2.215 . . . . 73.129999999999995 112.323 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -98.46 -18.06 18.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 74.430000000000007 110.859 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.724 HD11 ' HE1' ' A' ' 200' ' ' PLM . 12.2 mt -53.09 -27.63 13.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 75.540000000000006 111.163 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.29 -43.49 94.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 64.219999999999999 111.113 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.5 -24.98 5.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 64.310000000000002 110.874 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.71 HD13 ' NH2' ' A' ' 15' ' ' ARG . 0.4 OUTLIER -75.38 172.09 13.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 61.520000000000003 110.964 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 61.549999999999997 110.93 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 200' ' ' PLM . . . . . 0.724 ' HE1' HD11 ' A' ' 106' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 ptt? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.741 0.305 . . . . 63.32 110.938 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.0 m -114.89 134.52 55.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.415 . . . . 54.229999999999997 110.88 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.72 179.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.497 . . . . 75.019999999999996 110.871 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -42.79 -33.56 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 74.230000000000004 110.838 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.443 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 15.0 p -44.78 -27.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 54.530000000000001 110.824 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -53.67 -47.43 70.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 71.010000000000005 110.85 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -52.74 -38.42 60.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 65.439999999999998 110.901 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.736 HG11 ' HG3' ' A' ' 71' ' ' MET . 67.4 t -50.01 -61.73 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 74.299999999999997 111.091 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -50.82 -43.02 58.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 72.030000000000001 110.861 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.88 -44.54 96.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 71.400000000000006 111.16 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -56.83 -50.12 73.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 75.319999999999993 110.93 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.713 HG23 ' H82' ' A' ' 200' ' ' PLM . 77.1 mt -57.54 -49.19 81.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 74.530000000000001 111.125 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.49 -53.91 52.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 65.530000000000001 111.108 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -52.58 -25.34 10.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 74.230000000000004 110.933 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -77.73 -30.77 51.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 74.549999999999997 110.845 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.798 ' HB3' HD12 ' A' ' 19' ' ' ILE . 5.8 mt -71.3 -18.85 62.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 71.150000000000006 110.948 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -57.32 -20.64 29.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 73.030000000000001 110.924 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 t -91.89 -19.54 22.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 62.030000000000001 110.91 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.798 HD12 ' HB3' ' A' ' 16' ' ' LEU . 74.4 mt -51.6 104.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 72.510000000000005 111.09 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.81 143.15 28.06 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.594 0.711 . . . . 72.219999999999999 110.881 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -16.31 37.55 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 73.519999999999996 112.296 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.98 -5.59 44.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.298 -0.41 . . . . 74.400000000000006 111.171 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -177.64 104.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 71.219999999999999 110.874 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.723 ' CZ ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -117.46 -177.37 3.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 73.040000000000006 110.952 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.99 -37.04 2.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 73.400000000000006 110.927 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.647 HG11 HD13 ' A' ' 101' ' ' LEU . 8.6 p -176.82 126.36 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 62.439999999999998 111.125 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -110.97 124.68 52.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 64.430000000000007 110.917 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -170.94 175.19 4.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 70.019999999999996 110.81 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.9 t -104.0 129.91 55.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 54.229999999999997 111.095 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -122.11 145.6 48.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 71.040000000000006 110.87 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.6 ' O ' HD12 ' A' ' 64' ' ' LEU . 18.8 ttpt -106.9 143.69 34.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 74.420000000000002 110.895 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.4 125.96 33.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 73.129999999999995 110.887 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.656 ' HB2' HG23 ' A' ' 65' ' ' THR . 0.3 OUTLIER -110.61 140.08 45.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 75.140000000000001 110.885 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.504 ' O ' HG22 ' A' ' 41' ' ' VAL . 31.5 mm -116.86 90.59 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 73.200000000000003 111.136 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.78 HG22 HG22 ' A' ' 40' ' ' VAL . 25.3 p -101.58 165.18 11.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 73.349999999999994 111.139 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.39 98.39 4.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 63.409999999999997 110.861 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.84 -46.57 1.9 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 64.450000000000003 112.531 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 178.27 -29.02 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 74.120000000000005 112.471 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -98.16 146.58 25.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 62.520000000000003 110.883 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.78 HG22 HG22 ' A' ' 35' ' ' THR . 64.1 t -77.8 146.63 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.417 . . . . 63.310000000000002 111.13 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 34' ' ' ILE . 20.1 m -124.93 -21.37 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 44.340000000000003 111.155 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.26 152.78 17.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 64.319999999999993 110.917 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -107.43 154.4 21.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 72.109999999999999 110.845 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.482 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -144.46 150.91 38.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 73.329999999999998 110.915 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.556 HG13 HG22 ' A' ' 54' ' ' VAL . 7.2 p -141.83 140.73 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 60.539999999999999 111.098 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.8 ttm -99.31 118.63 36.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 72.040000000000006 110.886 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -96.13 89.95 5.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 72.400000000000006 110.904 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.469 HD22 ' H41' ' A' ' 200' ' ' PLM . 5.4 mt -75.84 -1.65 26.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 74.540000000000006 110.941 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.3 mtpt -84.93 -56.01 3.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 64.209999999999994 110.894 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -84.69 -8.03 59.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 41.399999999999999 110.903 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.2 t 69.06 43.53 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 71.439999999999998 111.134 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -149.6 144.72 26.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 73.310000000000002 110.891 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.5 mp -92.06 140.36 29.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 71.219999999999999 110.862 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.556 HG22 HG13 ' A' ' 45' ' ' VAL . 3.0 m -140.72 165.1 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 72.400000000000006 111.133 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.482 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 4.6 pm0 -102.14 104.21 14.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 73.519999999999996 110.878 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.68 162.41 14.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 73.409999999999997 110.826 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -122.11 117.4 26.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 71.219999999999999 110.851 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -143.53 159.63 42.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 62.329999999999998 110.867 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.52 91.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 64.140000000000001 111.07 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.08 149.98 21.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 60.25 111.1 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.97 -15.89 60.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 63.549999999999997 110.883 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.78 124.45 11.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 60.229999999999997 111.117 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.2 m -106.23 131.72 53.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 73.239999999999995 111.123 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.628 HD21 HG22 ' A' ' 99' ' ' ILE . 1.3 mp -129.21 118.24 22.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 42.200000000000003 110.908 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.656 HG23 ' HB2' ' A' ' 33' ' ' ARG . 3.5 m -107.58 134.85 49.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 74.439999999999998 111.152 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.525 ' HG2' HG21 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -160.07 158.12 29.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 74.319999999999993 110.889 179.905 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -93.05 161.68 14.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.415 . . . . 74.439999999999998 110.856 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.14 -59.01 4.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 75.340000000000003 110.921 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.91 -39.87 55.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 74.019999999999996 110.896 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.525 HG21 ' HG2' ' A' ' 66' ' ' MET . 14.7 mm -63.65 -42.28 95.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 73.310000000000002 111.091 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.736 ' HG3' HG11 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -51.38 -43.21 61.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 75.0 110.832 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.665 ' O ' HG22 ' A' ' 76' ' ' THR . 91.2 t80 -69.33 -30.73 68.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 63.32 110.878 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.44 -59.54 2.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 72.109999999999999 111.14 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.3 mt -71.85 -36.05 56.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 62.020000000000003 111.128 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.754 ' O ' HD12 ' A' ' 109' ' ' LEU . . . -48.88 -41.71 28.62 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 54.009999999999998 112.457 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.665 HG22 ' O ' ' A' ' 72' ' ' PHE . 4.2 t -102.07 11.51 38.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.835 0.35 . . . . 74.329999999999998 111.139 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.01 30.11 66.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.76 -0.733 . . . . 72.340000000000003 112.448 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.59 -41.55 68.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.338 . . . . 51.420000000000002 111.045 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.6 mt -115.16 156.03 45.98 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.662 0.744 . . . . 75.140000000000001 110.908 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 109.25 2.27 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.683 2.256 . . . . 72.450000000000003 112.302 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.495 ' HB1' ' HE3' ' A' ' 85' ' ' MET . . . -55.73 -39.48 71.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 35.219999999999999 111.098 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -49.63 76.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 64.019999999999996 110.894 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.17 -45.71 90.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.46 . . . . 73.200000000000003 110.881 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.97 -51.15 55.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 63.32 111.159 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.495 ' HE3' ' HB1' ' A' ' 81' ' ' ALA . 8.5 mtt -75.76 -26.67 57.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 72.329999999999998 110.847 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.07 -30.69 71.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 44.200000000000003 111.068 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -87.94 28.53 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 63.450000000000003 110.881 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 48.53 26.59 1.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.415 . . . . 74.430000000000007 110.844 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -86.92 1.31 53.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 64.209999999999994 110.88 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.42 ' HG2' ' HG3' ' A' ' 66' ' ' MET . 1.2 mpp? -160.17 153.72 22.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 63.100000000000001 110.858 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -123.11 108.46 12.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 65.450000000000003 110.906 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.468 HG12 ' H ' ' A' ' 65' ' ' THR . 13.3 m -118.01 140.3 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 74.540000000000006 111.101 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -131.14 113.16 13.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 71.329999999999998 110.895 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.6 168.09 28.26 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.695 -0.764 . . . . 62.439999999999998 112.461 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.475 ' HB3' HD23 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -54.11 116.05 2.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 74.109999999999999 110.949 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 97.4 t -43.05 -42.54 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 73.329999999999998 111.113 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.52 -47.69 82.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 74.25 110.911 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 95' ' ' GLN . 1.3 mm? -48.31 -54.14 14.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 75.129999999999995 110.91 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.628 HG22 HD21 ' A' ' 64' ' ' LEU . 15.7 pt -68.51 -15.87 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 70.209999999999994 111.103 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -87.99 -11.92 45.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 72.329999999999998 110.873 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.647 HD13 HG11 ' A' ' 26' ' ' VAL . 13.4 mt -74.74 -39.6 61.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 65.230000000000004 110.894 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.701 HD23 ' HA1' ' A' ' 200' ' ' PLM . 7.9 mp -87.04 -3.32 59.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 74.319999999999993 110.92 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.61 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 5.1 mt-10 -64.04 -54.26 41.6 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.608 0.718 . . . . 63.229999999999997 110.843 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 54.1 Cg_endo -69.71 -7.03 19.99 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.734 2.289 . . . . 73.129999999999995 112.363 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -96.0 -16.43 21.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 74.430000000000007 110.889 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.699 HD11 ' HE1' ' A' ' 200' ' ' PLM . 18.5 mt -57.35 -39.68 69.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 75.540000000000006 111.11 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.59 -38.49 90.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 64.219999999999999 111.051 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.2 m -50.45 -29.54 10.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 64.310000000000002 110.865 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.754 HD12 ' O ' ' A' ' 75' ' ' GLY . 21.3 mt -68.02 171.08 7.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 61.520000000000003 110.895 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 61.549999999999997 110.953 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 200' ' ' PLM . . . . . 0.734 ' C4 ' HD11 ' A' ' 19' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 mtm . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.793 0.33 . . . . 63.32 110.826 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.97 133.68 33.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 54.229999999999997 110.851 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.455 HD22 ' OD2' ' A' ' 68' ' ' ASP . 1.0 OUTLIER -91.99 134.92 34.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 75.019999999999996 110.934 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.67 -34.74 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 74.230000000000004 110.927 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.5 p -45.2 -26.98 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 54.530000000000001 110.916 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -53.6 -47.79 69.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 71.010000000000005 110.857 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -52.15 -38.72 58.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 65.439999999999998 110.933 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.553 HG21 ' C ' ' A' ' 71' ' ' MET . 73.8 t -54.93 -60.81 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 74.299999999999997 111.154 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -50.67 -44.79 57.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 72.030000000000001 110.901 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.71 -44.83 95.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 71.400000000000006 111.094 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.69 -49.05 76.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 75.319999999999993 110.986 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.778 ' HA ' HD22 ' A' ' 109' ' ' LEU . 72.6 mt -55.38 -49.64 71.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 74.530000000000001 111.139 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.18 -51.95 67.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 65.530000000000001 111.153 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -54.37 -26.74 31.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 74.230000000000004 110.937 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -76.39 -33.73 58.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 74.549999999999997 110.911 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.58 ' HB3' HD12 ' A' ' 19' ' ' ILE . 7.2 mt -67.35 -23.56 65.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 71.150000000000006 110.89 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -56.98 -24.37 52.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 73.030000000000001 110.909 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.96 -19.62 40.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.082 -0.508 . . . . 62.030000000000001 110.881 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.837 HG23 ' CZ ' ' A' ' 24' ' ' ARG . 96.4 mt -50.13 104.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 72.510000000000005 111.138 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.68 145.72 33.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.559 0.695 . . . . 72.219999999999999 110.944 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -11.61 31.21 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.671 2.247 . . . . 73.519999999999996 112.382 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.9 -10.04 59.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.232 -0.44 . . . . 74.400000000000006 111.077 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -174.55 104.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 71.219999999999999 110.88 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.837 ' CZ ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -116.28 -167.82 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.040000000000006 110.856 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -170.57 90.98 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 73.400000000000006 110.883 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.665 HG11 HD23 ' A' ' 98' ' ' LEU . 31.6 t 64.17 112.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 62.439999999999998 111.125 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -120.48 126.91 51.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 64.430000000000007 110.871 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -168.85 175.47 5.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 70.019999999999996 110.858 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.3 t -87.03 140.77 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 54.229999999999997 111.083 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -126.53 139.86 52.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 71.040000000000006 110.933 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.44 139.61 41.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 74.420000000000002 110.826 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.07 117.65 21.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 73.129999999999995 110.86 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.709 ' HB2' HG23 ' A' ' 65' ' ' THR . 24.3 mmt85 -104.38 131.8 51.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 75.140000000000001 110.875 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.8 mm -110.92 90.63 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 73.200000000000003 111.105 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.591 HG22 HG22 ' A' ' 40' ' ' VAL . 9.5 p -99.2 169.78 9.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 73.349999999999994 111.213 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -137.41 98.56 3.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 63.409999999999997 110.908 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.21 -46.96 2.19 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 64.450000000000003 112.492 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.87 -31.8 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.751 -0.738 . . . . 74.120000000000005 112.539 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.12 144.42 27.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.801 0.334 . . . . 62.520000000000003 110.909 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.591 HG22 HG22 ' A' ' 35' ' ' THR . 4.6 t -75.3 145.22 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 63.310000000000002 111.035 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 m -123.26 -23.67 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 44.340000000000003 111.205 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.47 154.36 26.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 64.319999999999993 110.939 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -109.6 159.29 17.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 72.109999999999999 110.862 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.505 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -143.5 138.77 29.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.485 . . . . 73.329999999999998 110.896 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 56' ' ' SER . 97.3 t -120.21 142.98 33.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 60.539999999999999 111.152 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.604 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.7 tpp -100.84 96.65 7.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 72.040000000000006 110.894 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.46 84.58 3.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 72.400000000000006 110.812 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 46' ' ' MET . 6.1 mp -78.82 -8.33 58.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 74.540000000000006 110.892 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -83.71 -55.92 4.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 64.209999999999994 110.88 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -85.75 -3.86 59.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 41.399999999999999 110.877 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.7 t 69.44 49.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 71.439999999999998 111.136 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -147.84 171.53 15.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 73.310000000000002 110.879 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.543 HD21 ' SD ' ' A' ' 46' ' ' MET . 1.4 mp -131.57 100.12 5.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 71.219999999999999 110.988 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -98.17 178.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 72.400000000000006 111.125 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.505 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 11.0 pm0 -109.71 113.52 26.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 73.519999999999996 110.879 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.508 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -167.5 167.14 13.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 73.409999999999997 110.889 -179.777 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.9 117.65 23.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 71.219999999999999 110.895 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -150.74 164.1 36.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 62.329999999999998 110.856 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.64 92.46 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 64.140000000000001 111.038 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.24 157.8 16.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 60.25 111.169 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -63.97 -25.17 68.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 63.549999999999997 110.905 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.33 123.98 19.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 60.229999999999997 111.074 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 54.7 m -100.35 125.27 46.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 73.239999999999995 111.136 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.849 HD21 HG22 ' A' ' 99' ' ' ILE . 2.1 mp -124.49 105.89 9.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 42.200000000000003 110.951 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.709 HG23 ' HB2' ' A' ' 33' ' ' ARG . 1.2 m -100.35 129.59 46.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 74.439999999999998 111.163 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.562 ' HG2' HG21 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -157.35 148.73 21.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 74.319999999999993 110.951 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -83.94 166.12 18.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 74.439999999999998 110.87 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.455 ' OD2' HD22 ' A' ' 3' ' ' LEU . 0.4 OUTLIER -52.08 -57.07 10.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 75.340000000000003 110.905 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -51.22 -36.44 41.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 74.019999999999996 110.812 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.562 HG21 ' HG2' ' A' ' 66' ' ' MET . 13.2 mm -67.13 -35.38 74.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 73.310000000000002 111.118 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.553 ' C ' HG21 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -64.27 -46.73 82.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 75.0 110.922 179.82 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -73.45 -30.38 63.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 63.32 110.883 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.47 -59.36 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 72.109999999999999 111.109 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.462 HD12 HG23 ' A' ' 70' ' ' ILE . 59.5 mt -73.4 -46.27 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 62.020000000000003 111.149 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -48.61 -35.93 17.29 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.725 -0.75 . . . . 54.009999999999998 112.484 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 66.6 p -88.26 -21.96 24.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 74.329999999999998 111.205 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.97 31.87 16.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 72.340000000000003 112.516 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.47 -39.97 21.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.339 . . . . 51.420000000000002 111.12 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.1 mt -119.19 154.78 53.79 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.577 0.703 . . . . 75.140000000000001 110.918 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 121.82 8.51 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.71 2.274 . . . . 72.450000000000003 112.355 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.87 -25.69 68.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 35.219999999999999 111.074 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -71.16 -51.32 25.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 64.019999999999996 110.908 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.58 -45.07 95.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 73.200000000000003 110.816 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.66 -51.05 52.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 63.32 111.059 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 10.6 mtm -76.67 -26.47 54.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 72.329999999999998 110.878 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.33 -31.75 70.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 44.200000000000003 111.132 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -90.68 27.87 1.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 63.450000000000003 110.924 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 48.46 28.72 1.79 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 74.430000000000007 110.836 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.42 2.05 51.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 64.209999999999994 110.918 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.408 ' HG2' ' HG3' ' A' ' 66' ' ' MET . 0.6 OUTLIER -154.35 149.42 26.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 63.100000000000001 110.801 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -123.91 108.13 12.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 65.450000000000003 110.947 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 64' ' ' LEU . 15.6 m -125.42 144.04 36.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 74.540000000000006 111.168 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -132.96 113.2 12.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 71.329999999999998 110.82 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.14 168.23 29.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 62.439999999999998 112.494 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.408 ' HB2' HD12 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -54.51 114.8 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.861 0.362 . . . . 74.109999999999999 110.921 -179.879 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 40.7 t -44.05 -43.51 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 73.329999999999998 111.106 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -55.89 -50.17 71.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 74.25 110.89 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.665 HD23 HG11 ' A' ' 26' ' ' VAL . 70.7 mt -48.1 -53.47 16.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 75.129999999999995 110.882 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.849 HG22 HD21 ' A' ' 64' ' ' LEU . 36.1 pt -72.45 -20.75 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 70.209999999999994 111.115 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -81.57 -18.8 43.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 72.329999999999998 110.864 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.0 mt -76.19 -32.59 59.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 65.230000000000004 110.978 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.751 HD23 ' HA1' ' A' ' 200' ' ' PLM . 6.2 mp -86.67 -7.74 58.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 74.319999999999993 110.928 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.664 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 16.5 mt-10 -63.61 -51.17 68.26 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.65 0.738 . . . . 63.229999999999997 110.92 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.664 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.8 Cg_endo -69.73 -8.63 24.1 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.725 2.283 . . . . 73.129999999999995 112.335 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -101.05 -15.68 17.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 74.430000000000007 110.91 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.407 ' CD1' ' HC2' ' A' ' 200' ' ' PLM . 2.9 mm -44.33 -53.25 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 75.540000000000006 111.112 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -70.91 -47.83 56.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 64.219999999999999 111.082 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.612 ' O ' ' C ' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -51.47 -44.31 62.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 64.310000000000002 110.831 -179.759 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.826 HD21 ' H91' ' A' ' 200' ' ' PLM . 21.1 mt -14.39 94.45 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.185 -0.461 . . . . 61.520000000000003 110.903 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 61.549999999999997 110.864 179.858 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 200' ' ' PLM . . . . . 0.826 ' H91' HD21 ' A' ' 109' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.808 0.337 . . . . 63.32 110.931 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.3 123.0 35.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 54.229999999999997 110.904 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.9 mt -71.24 174.07 6.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 75.019999999999996 110.898 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -59.51 3.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 74.230000000000004 110.933 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 p -44.36 -31.8 1.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 54.530000000000001 110.891 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.97 -50.48 66.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.51 . . . . 71.010000000000005 110.9 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -52.01 -38.41 56.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 65.439999999999998 110.857 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.574 HG13 ' HA3' ' A' ' 75' ' ' GLY . 57.3 t -51.92 -60.24 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 74.299999999999997 111.088 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -47.59 -43.02 25.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 72.030000000000001 110.839 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.22 -39.13 85.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 71.400000000000006 111.099 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -67.68 -53.6 26.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 75.319999999999993 110.906 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.483 HG23 ' C8 ' ' A' ' 200' ' ' PLM . 69.2 mt -55.31 -38.96 49.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 74.530000000000001 111.188 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.507 ' HB2' ' HB2' ' A' ' 53' ' ' LEU . . . -71.02 -52.43 19.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 65.530000000000001 111.107 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -52.99 -30.42 35.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 74.230000000000004 110.871 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.648 ' CB ' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -71.47 -33.07 69.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 74.549999999999997 110.849 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.439 ' HB3' HG13 ' A' ' 51' ' ' VAL . 7.5 mt -65.29 -23.75 67.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 71.150000000000006 110.854 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -54.36 -21.81 10.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 73.030000000000001 110.872 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.11 -27.3 22.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 62.030000000000001 110.89 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.812 HG23 ' CZ ' ' A' ' 24' ' ' ARG . 54.1 mt -47.55 104.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 72.510000000000005 111.106 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.36 144.36 28.84 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.65 0.738 . . . . 72.219999999999999 110.837 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -10.34 28.29 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 73.519999999999996 112.347 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.71 -10.43 59.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 74.400000000000006 111.115 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.25 103.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 71.219999999999999 110.853 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.812 ' CZ ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -118.44 177.03 4.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 73.040000000000006 110.856 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -113.06 -42.65 3.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 73.400000000000006 110.959 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 p -173.95 142.01 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 62.439999999999998 111.075 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -117.02 124.03 48.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 64.430000000000007 110.908 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -171.38 179.4 2.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 70.019999999999996 110.861 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.5 t -93.08 139.2 18.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 54.229999999999997 111.147 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.771 ' CE2' HD13 ' A' ' 64' ' ' LEU . 6.6 t80 -128.33 136.24 50.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 71.040000000000006 110.942 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -117.12 142.48 46.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 74.420000000000002 110.915 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.473 ' CE2' ' HE1' ' A' ' 46' ' ' MET . 0.1 OUTLIER -121.03 152.55 38.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 73.129999999999995 110.901 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.563 ' CD ' HG23 ' A' ' 65' ' ' THR . 1.2 ttt180 -126.12 127.06 45.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 75.140000000000001 110.928 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 40.3 mm -115.91 90.71 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 73.200000000000003 111.088 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.546 HG22 ' HA ' ' A' ' 40' ' ' VAL . 4.9 p -99.31 170.93 8.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 73.349999999999994 111.148 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -138.62 98.16 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 63.409999999999997 110.959 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.98 -51.22 1.47 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.787 -0.72 . . . . 64.450000000000003 112.461 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.13 -31.82 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.789 -0.719 . . . . 74.120000000000005 112.456 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.56 142.08 34.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.342 . . . . 62.520000000000003 110.926 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.546 ' HA ' HG22 ' A' ' 35' ' ' THR . 12.1 p -71.62 151.17 8.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 63.310000000000002 111.174 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.6 m -124.54 -17.64 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 44.340000000000003 111.128 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.22 143.94 1.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 64.319999999999993 110.907 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -103.02 156.53 17.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 72.109999999999999 110.893 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.417 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.8 OUTLIER -128.78 160.12 33.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.259 -0.428 . . . . 73.329999999999998 110.888 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 56' ' ' SER . 28.4 t -132.97 143.11 40.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 60.539999999999999 111.173 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.473 ' HE1' ' CE2' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -109.34 104.32 13.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 72.040000000000006 110.855 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -81.04 84.59 6.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 72.400000000000006 110.922 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.7 mt -78.53 -15.76 58.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.3 -0.409 . . . . 74.540000000000006 110.848 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -76.57 -46.14 27.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 64.209999999999994 110.938 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.57 -4.24 51.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 41.399999999999999 110.861 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.439 HG13 ' HB3' ' A' ' 16' ' ' LEU . 3.7 t 67.73 48.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 71.439999999999998 111.105 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -148.45 164.45 34.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 73.310000000000002 110.838 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.507 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 1.6 mp -121.08 130.88 53.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 71.219999999999999 110.896 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 m -135.23 171.68 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 72.400000000000006 111.16 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.2 pm0 -108.02 114.23 27.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 73.519999999999996 110.843 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.699 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -167.67 166.99 13.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 73.409999999999997 110.799 -179.759 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.1 117.4 23.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.063 -0.517 . . . . 71.219999999999999 110.89 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.06 164.27 38.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 62.329999999999998 110.958 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.41 91.39 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 64.140000000000001 111.097 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.51 149.97 20.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 60.25 111.126 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -22.06 66.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 63.549999999999997 110.889 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.59 124.01 19.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 60.229999999999997 111.12 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.6 m -110.66 123.36 49.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 73.239999999999995 111.165 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.771 HD13 ' CE2' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -117.87 122.1 42.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 42.200000000000003 110.923 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.563 HG23 ' CD ' ' A' ' 33' ' ' ARG . 4.5 m -106.19 126.14 51.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.251 -0.431 . . . . 74.439999999999998 111.129 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.487 ' SD ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -155.42 144.74 20.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 74.319999999999993 110.838 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -78.88 160.44 27.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 74.439999999999998 110.924 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.5 -58.93 3.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.161 -0.472 . . . . 75.340000000000003 110.879 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.77 -34.37 27.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 74.019999999999996 110.891 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.422 HG21 ' HG2' ' A' ' 66' ' ' MET . 12.0 mm -71.67 -42.4 71.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 73.310000000000002 111.125 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.442 ' HG3' HG11 ' A' ' 8' ' ' VAL . 11.3 tpt -52.78 -46.43 67.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 75.0 110.857 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -69.09 -30.43 68.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 63.32 110.866 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.09 -59.53 2.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 72.109999999999999 111.108 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.717 ' O ' HG23 ' A' ' 106' ' ' ILE . 41.3 mt -67.38 -47.32 81.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 62.020000000000003 111.153 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.574 ' HA3' HG13 ' A' ' 8' ' ' VAL . . . -50.74 -37.62 34.97 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.746 -0.74 . . . . 54.009999999999998 112.522 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 65.7 p -90.51 -10.73 42.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 74.329999999999998 111.087 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.43 33.78 52.07 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.777 -0.725 . . . . 72.340000000000003 112.45 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.56 -39.62 17.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 51.420000000000002 111.082 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.0 mt -118.22 150.8 48.3 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 121.657 0.741 . . . . 75.140000000000001 110.899 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 122.6 9.3 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.616 2.21 . . . . 72.450000000000003 112.391 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.459 ' HB1' ' HE3' ' A' ' 85' ' ' MET . . . -65.04 -27.02 68.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 35.219999999999999 111.114 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -53.73 13.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 64.019999999999996 110.909 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.6 -44.15 96.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 73.200000000000003 110.877 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.97 -51.0 56.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 63.32 111.068 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.459 ' HE3' ' HB1' ' A' ' 81' ' ' ALA . 8.1 mtm -76.85 -26.46 54.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 72.329999999999998 110.862 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.32 -31.18 70.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 44.200000000000003 111.053 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -89.19 28.41 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 63.450000000000003 110.928 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 46.66 28.55 0.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 74.430000000000007 110.906 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.63 4.42 51.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 64.209999999999994 110.926 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.4 ' HG2' ' HG3' ' A' ' 66' ' ' MET . 0.1 OUTLIER -160.63 147.98 15.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 63.100000000000001 110.901 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -121.44 108.37 13.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 65.450000000000003 110.797 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 90.1 t -111.78 143.05 22.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 74.540000000000006 111.17 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -131.63 113.27 13.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 71.329999999999998 110.841 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.77 167.37 27.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.779 -0.724 . . . . 62.439999999999998 112.542 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.767 ' HB2' HD12 ' A' ' 98' ' ' LEU . 1.5 tp60 -56.33 120.98 8.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 74.109999999999999 110.902 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 87.9 t -43.12 -53.45 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 73.329999999999998 111.121 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.87 -49.18 76.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 74.25 110.871 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.767 HD12 ' HB2' ' A' ' 95' ' ' GLN . 2.1 mt -48.37 -54.04 15.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 75.129999999999995 110.916 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.542 HG22 HD11 ' A' ' 64' ' ' LEU . 30.8 pt -71.87 -23.8 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 70.209999999999994 111.113 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -75.26 -12.84 60.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.463 . . . . 72.329999999999998 110.877 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 44.2 mt -75.7 -32.43 60.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 65.230000000000004 110.925 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.49 HD11 ' H52' ' A' ' 200' ' ' PLM . 6.1 mp -88.15 -7.73 56.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 74.319999999999993 110.885 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.683 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 18.1 mt-10 -64.65 -48.97 72.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.722 0.773 . . . . 63.229999999999997 110.913 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.683 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.6 Cg_endo -69.82 -8.0 22.51 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.662 2.241 . . . . 73.129999999999995 112.305 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -101.29 -17.07 16.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 74.430000000000007 110.918 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.717 HG23 ' O ' ' A' ' 74' ' ' ILE . 30.7 mt -55.14 -53.14 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 75.540000000000006 111.081 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -94.01 24.35 4.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 64.219999999999999 111.044 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.8 t -104.03 -50.47 3.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 64.310000000000002 110.892 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.648 HD23 ' CB ' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -82.8 93.41 7.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 61.520000000000003 110.843 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.5 tttm . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 61.549999999999997 110.884 179.83 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 200' ' ' PLM . . . . . 0.709 ' HE1' HD11 ' A' ' 106' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.9 mmpt? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.746 0.308 . . . . 74.23 110.875 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 m -46.07 -29.38 1.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 54.53 110.847 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.21 -49.95 68.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 71.01 110.857 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.53 -36.99 56.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 65.44 110.861 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.1 t -54.58 -59.78 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 74.3 111.131 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -50.21 -45.18 53.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 72.03 110.923 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.87 98.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 71.4 111.088 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -52.13 65.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.426 . . . . 75.32 110.868 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.3 mt -54.46 -51.97 44.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 74.53 111.134 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.469 ' HA ' HD12 ' A' ' 16' ' ' LEU . . . -57.09 -51.72 68.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 65.53 111.092 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.23 -33.47 65.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.863 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.407 ' HG3' ' HB2' ' A' ' 108' ' ' SER . 0.0 OUTLIER -69.26 -35.21 75.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 74.55 110.904 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.606 ' HB3' HG13 ' A' ' 51' ' ' VAL . 66.3 mt -60.99 -32.81 72.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 71.15 110.885 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -66.21 -15.93 63.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 73.03 110.887 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.66 -50.19 18.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 62.03 110.895 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.475 HD12 ' HA ' ' A' ' 16' ' ' LEU . 2.7 mp -47.76 104.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.493 . . . . 72.51 111.152 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.99 144.93 99.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.623 0.725 . . . . 72.22 110.894 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -15.25 36.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.256 . . . . 73.52 112.356 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.02 -2.28 39.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 74.4 111.11 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -168.54 104.62 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 71.22 110.882 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.7 mmm-85 -109.31 169.19 8.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 73.04 110.879 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -115.48 -78.54 0.58 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 73.4 110.923 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.436 ' HB ' HD13 ' A' ' 101' ' ' LEU . 92.2 t -151.08 113.66 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 62.44 111.157 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.41 135.56 54.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 64.43 110.892 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -162.67 178.98 8.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 70.02 110.868 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.3 t -86.86 122.05 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 54.23 111.135 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -117.89 162.31 18.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 71.04 110.909 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.535 ' HE2' HG23 ' A' ' 63' ' ' THR . 9.5 ttpt -124.5 136.08 53.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 74.42 110.894 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -126.65 121.09 31.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 73.13 110.829 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.634 ' CB ' HG23 ' A' ' 65' ' ' THR . 0.0 OUTLIER -109.79 130.95 55.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 75.14 110.866 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.714 ' O ' HG12 ' A' ' 41' ' ' VAL . 24.6 mm -107.59 90.99 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 73.2 111.114 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.659 HG22 ' HA ' ' A' ' 40' ' ' VAL . 15.5 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 73.35 111.147 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.659 ' HA ' HG22 ' A' ' 35' ' ' THR . 44.0 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.876 0.37 . . . . 63.31 111.135 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.714 HG12 ' O ' ' A' ' 34' ' ' ILE . 1.2 p -125.07 -18.27 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 44.34 111.144 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -174.64 165.39 3.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 64.32 110.882 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -112.66 154.1 26.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 72.11 110.844 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.473 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -139.89 142.29 36.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 73.33 110.955 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 56' ' ' SER . 26.9 t -123.85 141.88 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 60.54 111.144 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.488 ' SD ' HD21 ' A' ' 53' ' ' LEU . 1.1 tpp -100.63 100.52 11.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 72.04 110.891 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.27 80.21 5.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 72.4 110.822 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.44 HD13 HD22 ' A' ' 16' ' ' LEU . 1.0 OUTLIER -73.88 -12.87 60.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 74.54 110.908 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -82.13 -52.32 7.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 64.21 110.861 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -86.86 -6.36 58.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 41.4 110.826 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.606 HG13 ' HB3' ' A' ' 16' ' ' LEU . 5.1 t 69.74 48.53 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 71.44 111.184 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.66 170.11 18.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 73.31 110.941 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.488 HD21 ' SD ' ' A' ' 46' ' ' MET . 2.2 mp -129.52 100.43 5.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 71.22 110.885 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 m -99.77 175.07 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 72.4 111.146 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.473 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.8 pm0 -106.78 111.04 23.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 73.52 110.915 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.706 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -167.15 166.59 14.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 73.41 110.861 -179.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.81 118.28 23.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 71.22 110.906 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.5 162.69 39.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 62.33 110.846 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.28 91.31 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 64.14 111.072 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -93.7 156.18 16.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 60.25 111.14 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.82 -22.28 66.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 63.55 110.894 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.97 124.14 17.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 60.23 111.115 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.535 HG23 ' HE2' ' A' ' 31' ' ' LYS . 97.9 m -104.03 128.23 51.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 73.24 111.156 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.84 114.44 19.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 42.2 110.918 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.634 HG23 ' CB ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -110.16 129.26 55.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 74.44 111.152 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.444 ' HG3' ' HG2' ' A' ' 90' ' ' MET . 0.3 OUTLIER -155.66 144.94 20.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 74.32 110.844 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -78.52 158.83 28.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 74.44 110.932 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.84 -52.47 32.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 75.34 110.895 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.08 -35.15 24.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 74.02 110.852 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.429 ' CG2' HD12 ' A' ' 74' ' ' ILE . 14.9 mm -83.6 -24.8 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 73.31 111.098 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.538 ' HG3' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -57.52 -52.38 65.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 75.0 110.882 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.491 ' C ' ' CD1' ' A' ' 72' ' ' PHE . 3.6 p90 -73.9 -29.12 61.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 63.32 110.91 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.58 -59.97 2.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 72.11 111.104 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.429 HD12 ' CG2' ' A' ' 70' ' ' ILE . 71.3 mt -70.77 -43.13 77.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 62.02 111.109 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.63 -38.25 52.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 54.01 112.5 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 34.4 p -93.94 1.76 56.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 74.33 111.11 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.48 28.96 73.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 72.34 112.527 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.56 -39.69 70.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.319 . . . . 51.42 111.049 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 31.2 mt -119.74 153.78 54.67 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.575 0.703 . . . . 75.14 110.957 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 122.66 9.34 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.666 2.244 . . . . 72.45 112.352 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.456 ' HB1' ' HE1' ' A' ' 85' ' ' MET . . . -60.59 -28.48 68.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 35.22 111.096 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.19 -57.05 4.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 64.02 110.901 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.26 -43.71 98.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 73.2 110.849 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.491 ' HB1' ' SD ' ' A' ' 90' ' ' MET . . . -51.04 -51.55 52.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 63.32 111.079 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.456 ' HE1' ' HB1' ' A' ' 81' ' ' ALA . 8.0 mtm -77.11 -26.86 53.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.882 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.93 -31.88 67.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 44.2 111.127 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -90.11 27.62 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 63.45 110.866 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 46.35 30.17 0.99 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.829 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -94.44 7.07 46.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 64.21 110.927 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.491 ' SD ' ' HB1' ' A' ' 84' ' ' ALA . 2.3 mtm -150.95 144.19 24.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 63.1 110.88 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -119.22 108.91 15.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 65.45 110.932 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.7 p -128.19 140.34 49.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 74.54 111.105 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -131.75 113.78 13.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 71.33 110.84 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.38 168.04 28.96 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.718 -0.753 . . . . 62.44 112.493 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.449 ' HB3' HD12 ' A' ' 98' ' ' LEU . 52.5 tp60 -54.29 118.59 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 74.11 110.919 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.4 t -43.19 -50.2 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 73.33 111.128 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -50.33 71.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 74.25 110.887 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.775 ' HA ' HD12 ' A' ' 101' ' ' LEU . 7.7 mt -48.48 -54.11 15.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 75.13 110.903 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 43.6 pt -68.96 -24.23 28.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 70.21 111.16 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.17 -15.37 60.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 72.33 110.899 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.775 HD12 ' HA ' ' A' ' 98' ' ' LEU . 4.6 mt -76.01 -32.61 59.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 65.23 110.966 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.3 mp -84.65 -12.26 54.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 74.32 110.978 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.621 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 18.4 mt-10 -59.74 -53.48 65.18 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.64 0.733 . . . . 63.23 110.898 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.621 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.7 Cg_endo -69.71 -9.16 25.44 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 73.13 112.39 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -95.77 -17.26 21.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.897 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 103' ' ' GLU . 23.4 mt -56.51 -44.58 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 75.54 111.113 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.71 -37.48 71.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 64.22 111.114 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.407 ' HB2' ' HG3' ' A' ' 15' ' ' ARG . 24.2 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 64.31 110.899 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.79 0.328 . . . . 74.23 110.85 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.403 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 79.4 p -44.7 -30.96 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 54.53 110.817 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -53.97 -50.44 66.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 71.01 110.928 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.76 -37.01 39.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 65.44 110.885 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.812 HG11 ' HG3' ' A' ' 71' ' ' MET . 92.8 t -56.43 -57.94 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 74.3 111.12 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -48.9 -45.54 41.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 72.03 110.898 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.58 -47.73 84.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 71.4 111.086 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -53.01 63.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 75.32 110.902 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.9 mt -54.76 -54.04 26.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 74.53 111.125 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.69 -52.92 62.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 65.53 111.152 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -53.69 -29.49 39.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 74.23 110.884 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -33.49 64.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 74.55 110.823 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.718 ' HB3' HD12 ' A' ' 19' ' ' ILE . 7.4 mt -66.99 -20.74 65.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 71.15 110.86 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -56.24 -21.78 25.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 73.03 110.88 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.18 -22.63 26.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 62.03 110.905 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.746 HG23 ' CZ ' ' A' ' 24' ' ' ARG . 96.5 mt -49.84 104.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.057 -0.519 . . . . 72.51 111.104 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.69 143.44 28.2 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 121.623 0.725 . . . . 72.22 110.887 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -16.15 37.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.72 2.28 . . . . 73.52 112.26 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.54 -6.66 49.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 74.4 111.08 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -171.34 103.8 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 71.22 110.888 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.746 ' CZ ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -125.13 173.44 8.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 73.04 110.902 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.456 ' HB3' HD11 ' A' ' 101' ' ' LEU . 55.8 mm-40 -124.37 -55.75 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 73.4 110.909 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.798 HG11 HD23 ' A' ' 98' ' ' LEU . 98.7 t -151.82 109.62 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 62.44 111.108 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.74 125.12 51.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 64.43 110.898 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.56 179.16 3.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 70.02 110.844 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.4 t -91.82 133.1 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 54.23 111.134 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -119.97 167.22 12.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 71.04 110.954 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.643 ' CE ' HG22 ' A' ' 45' ' ' VAL . 1.3 tpmt? -134.06 136.57 44.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 74.42 110.898 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.482 ' O ' ' HB2' ' A' ' 44' ' ' TRP . 0.4 OUTLIER -130.19 111.36 12.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 73.13 110.887 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.742 ' HB2' HG23 ' A' ' 65' ' ' THR . 3.1 mtt-85 -100.02 134.7 42.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 75.14 110.82 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.628 ' O ' HG22 ' A' ' 41' ' ' VAL . 23.3 mm -104.58 90.44 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 73.2 111.103 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.822 HG22 HG22 ' A' ' 40' ' ' VAL . 80.4 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 73.35 111.115 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.822 HG22 HG22 ' A' ' 35' ' ' THR . 47.8 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.913 0.387 . . . . 63.31 111.127 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.628 HG22 ' O ' ' A' ' 34' ' ' ILE . 29.3 m -125.05 -18.33 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 44.34 111.182 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.96 156.93 15.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 64.32 110.878 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.02 152.64 34.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 72.11 110.894 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.482 ' HB2' ' O ' ' A' ' 32' ' ' PHE . 0.4 OUTLIER -135.6 147.09 48.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 73.33 110.925 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 56' ' ' SER . 29.1 t -121.81 142.87 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 60.54 111.14 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.418 ' HG3' HD11 ' A' ' 53' ' ' LEU . 5.3 ttm -100.77 97.33 7.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 72.04 110.888 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.57 80.45 4.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 72.4 110.871 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 48' ' ' LEU . 10.8 mt -74.29 -10.12 59.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 74.54 110.921 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -82.03 -52.6 6.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 64.21 110.929 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.406 ' C ' HG23 ' A' ' 51' ' ' VAL . 6.1 t30 -87.43 -5.44 58.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 41.4 110.904 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.406 HG23 ' C ' ' A' ' 50' ' ' ASN . 3.5 t 70.51 47.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 71.44 111.1 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.3 168.47 22.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 73.31 110.964 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.418 HD11 ' HG3' ' A' ' 46' ' ' MET . 0.8 OUTLIER -128.0 100.56 5.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 71.22 110.97 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 m -97.96 176.05 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 72.4 111.096 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.479 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 4.1 pm0 -107.79 111.24 23.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 73.52 110.972 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.687 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -167.64 167.75 13.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 73.41 110.876 -179.769 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -128.01 118.41 23.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 71.22 110.828 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.89 163.19 38.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 62.33 110.849 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.68 91.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 64.14 111.088 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.538 ' HB2' ' NZ ' ' A' ' 31' ' ' LYS . . . -94.42 149.23 21.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 60.25 111.067 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -22.51 66.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 63.55 110.912 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.67 124.26 18.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 60.23 111.099 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.7 m -104.8 127.4 52.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 73.24 111.108 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.38 106.95 10.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 42.2 110.919 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.742 HG23 ' HB2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -98.93 128.8 45.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 74.44 111.156 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -155.04 144.22 21.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 74.32 110.875 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -78.81 162.48 26.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 74.44 110.936 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.75 -59.03 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 75.34 110.851 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -51.29 -42.97 61.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 74.02 110.8 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.417 HD13 ' HA ' ' A' ' 70' ' ' ILE . 15.2 mm -60.27 -37.23 73.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 73.31 111.181 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.812 ' HG3' HG11 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -60.81 -45.64 93.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.0 110.941 179.794 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -69.41 -30.37 68.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 63.32 110.916 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.603 ' HB1' ' HG ' ' A' ' 79' ' ' LEU . . . -75.38 -59.43 2.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 72.11 111.118 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.43 ' O ' HG23 ' A' ' 106' ' ' ILE . 55.7 mt -69.11 -44.32 81.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 62.02 111.109 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.17 -39.81 51.02 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.755 -0.736 . . . . 54.01 112.465 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 41.4 p -92.65 7.13 44.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.343 . . . . 74.33 111.124 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 58.02 30.91 64.22 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.755 -0.736 . . . . 72.34 112.473 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.82 -38.81 70.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 51.42 111.083 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.603 ' HG ' ' HB1' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -125.74 157.17 69.66 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.621 0.724 . . . . 75.14 110.947 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 123.51 10.16 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.667 2.245 . . . . 72.45 112.331 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.03 -26.85 67.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 35.22 111.109 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.21 -56.68 5.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 64.02 110.884 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -43.39 97.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 73.2 110.898 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.633 ' HB1' ' HE1' ' A' ' 90' ' ' MET . . . -51.03 -52.96 37.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 63.32 111.162 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.9 mtm -75.26 -26.44 58.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 72.33 110.852 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.93 -34.69 70.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 44.2 111.068 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -87.29 27.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 63.45 110.928 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 46.65 28.92 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.897 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.31 2.83 56.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 64.21 110.846 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.633 ' HE1' ' HB1' ' A' ' 84' ' ' ALA . 3.1 mtm -150.43 146.22 26.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 63.1 110.872 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -118.47 108.77 15.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 65.45 110.918 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.1 p -124.59 137.61 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 74.54 111.081 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -131.22 113.47 13.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 71.33 110.872 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.37 168.11 29.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 62.44 112.495 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.689 ' HB2' HD12 ' A' ' 98' ' ' LEU . 11.8 tp60 -54.36 120.2 6.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.804 0.335 . . . . 74.11 110.913 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.4 t -43.0 -50.72 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 73.33 111.164 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.86 -50.09 73.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 74.25 110.834 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.798 HD23 HG11 ' A' ' 26' ' ' VAL . 34.8 mt -48.03 -53.91 14.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 75.13 110.855 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 34.5 pt -71.45 -24.17 23.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 70.21 111.124 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -75.77 -14.27 60.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 72.33 110.812 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.456 HD11 ' HB3' ' A' ' 25' ' ' GLN . 1.0 OUTLIER -75.33 -35.52 61.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 65.23 110.903 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.7 mp -85.14 -7.45 59.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 74.32 110.901 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.629 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 19.7 mt-10 -63.33 -53.36 53.75 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.625 0.726 . . . . 63.23 110.893 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.629 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 54.3 Cg_endo -69.67 -7.78 21.92 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.757 2.305 . . . . 73.13 112.37 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -97.99 -17.09 19.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.896 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 103' ' ' GLU . 23.3 mt -51.61 -39.42 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 75.54 111.132 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.7 -36.18 83.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 64.22 111.073 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 32.0 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 64.31 110.857 -179.819 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.781 0.324 . . . . 74.23 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.5 m -45.88 -29.88 1.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 54.53 110.886 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -54.14 -49.86 68.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 71.01 110.916 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.99 -36.6 50.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 65.44 110.884 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.601 HG11 ' HG3' ' A' ' 71' ' ' MET . 57.3 t -56.43 -59.44 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 74.3 111.125 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -50.67 -46.39 58.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 72.03 110.85 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.63 -43.33 99.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 71.4 111.139 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.9 mmtm -58.59 -50.64 73.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 75.32 110.894 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.3 mt -54.61 -51.09 54.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 74.53 111.127 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.665 ' HA ' HD12 ' A' ' 16' ' ' LEU . . . -57.16 -51.86 67.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 65.53 111.074 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -55.11 -32.17 61.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 74.23 110.917 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -34.62 72.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 74.55 110.96 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 13' ' ' ALA . 26.6 mt -61.87 -33.46 74.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 71.15 110.87 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -69.25 -13.7 62.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 73.03 110.926 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.36 -51.12 16.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 62.03 110.814 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 16' ' ' LEU . 2.7 mt -47.82 104.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 72.51 111.121 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.74 144.79 89.16 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.591 0.71 . . . . 72.22 110.87 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -16.77 37.66 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.721 2.28 . . . . 73.52 112.326 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.41 -0.44 37.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 74.4 111.09 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -170.72 104.79 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 71.22 110.815 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.49 ' HD2' HG22 ' A' ' 19' ' ' ILE . 41.8 mmm-85 -107.28 174.36 5.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 73.04 110.789 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -110.92 -83.07 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 73.4 110.956 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.9 t -136.58 105.09 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 62.44 111.115 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.86 126.46 34.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 64.43 110.88 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.588 ' O ' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -169.56 170.87 7.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 70.02 110.893 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.3 t -98.35 130.13 47.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 54.23 111.145 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.593 ' HD1' ' HB3' ' A' ' 62' ' ' ALA . 22.0 m-85 -117.27 161.13 19.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 71.04 110.933 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.513 ' CE ' HG22 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -125.89 138.73 53.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 74.42 110.885 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' A' ' 44' ' ' TRP . 0.1 OUTLIER -131.03 123.01 27.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 73.13 110.855 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -117.5 134.46 54.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 75.14 110.849 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.44 ' O ' HG12 ' A' ' 41' ' ' VAL . 20.2 mm -112.85 127.74 69.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 73.2 111.169 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 73.35 111.156 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.918 0.39 . . . . 63.31 111.071 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 34' ' ' ILE . 1.1 p -127.19 -29.34 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 44.34 111.149 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.79 165.69 3.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 64.32 110.885 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.48 152.83 29.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 72.11 110.904 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.451 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -135.36 145.04 46.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 73.33 110.897 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 56' ' ' SER . 26.6 t -125.0 141.57 44.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 60.54 111.153 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.459 ' SD ' HD21 ' A' ' 53' ' ' LEU . 2.3 tpp -100.76 97.36 8.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 72.04 110.899 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -76.14 80.56 2.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 72.4 110.9 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.588 HD13 ' O ' ' A' ' 28' ' ' HIS . 1.2 mp -72.89 -11.94 60.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 74.54 110.935 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -83.07 -53.02 6.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 64.21 110.893 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -85.81 -7.28 58.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 41.4 110.924 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.498 HG13 ' HB3' ' A' ' 16' ' ' LEU . 5.3 t 69.95 48.78 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 71.44 111.125 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.43 167.11 26.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 73.31 110.871 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.459 HD21 ' SD ' ' A' ' 46' ' ' MET . 3.3 mp -125.38 100.3 6.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 71.22 110.965 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 m -99.92 176.52 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.116 -0.493 . . . . 72.4 111.177 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.451 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.2 pm0 -108.03 110.92 22.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 73.52 110.93 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.734 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -168.89 170.13 9.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 73.41 110.83 -179.795 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -128.54 116.37 19.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 71.22 110.926 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -156.04 169.56 24.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.499 . . . . 62.33 110.888 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.9 157.83 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 64.14 111.082 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -168.27 141.45 3.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 60.25 111.12 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.58 -24.93 68.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 63.55 110.89 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.593 ' HB3' ' HD1' ' A' ' 30' ' ' TYR . . . -139.56 124.21 18.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 60.23 111.083 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 77.6 m -108.54 129.4 55.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 73.24 111.109 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.629 HD21 HG22 ' A' ' 99' ' ' ILE . 0.8 OUTLIER -127.41 114.41 17.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 42.2 110.899 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -104.39 132.2 50.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 74.44 111.138 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.7 mtt -155.68 144.4 20.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.869 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -78.95 161.33 26.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 74.44 110.895 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.05 -59.09 3.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 75.34 110.853 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -51.35 -36.48 43.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.02 110.846 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.4 mm -70.69 -32.6 49.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 73.31 111.102 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.601 ' HG3' HG11 ' A' ' 8' ' ' VAL . 1.7 tpt -62.49 -47.2 85.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 75.0 110.874 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -67.24 -32.03 72.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 63.32 110.876 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.65 -60.15 2.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 72.11 111.152 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.9 mm -63.22 -43.63 98.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 62.02 111.129 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.06 -36.06 42.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 54.01 112.517 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.7 p -97.29 0.43 48.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.343 . . . . 74.33 111.129 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 68.41 33.22 76.79 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.786 -0.721 . . . . 72.34 112.454 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.72 -43.83 16.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 51.42 111.137 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 28.4 mt -106.54 144.76 29.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.714 . . . . 75.14 110.917 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 120.25 7.07 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.668 2.246 . . . . 72.45 112.326 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.474 ' O ' ' HE3' ' A' ' 85' ' ' MET . . . -59.53 -33.67 71.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 35.22 111.115 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.11 -57.01 4.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 64.02 110.895 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -44.87 93.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 73.2 110.852 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.07 -52.75 40.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 63.32 111.128 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.474 ' HE3' ' O ' ' A' ' 81' ' ' ALA . 4.4 mtt -74.16 -26.84 60.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 72.33 110.783 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.9 -32.06 71.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 44.2 111.072 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.22 27.51 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 63.45 110.951 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 46.46 29.55 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 74.43 110.903 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -94.26 2.01 55.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 64.21 110.917 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.9 mtm -154.32 148.71 26.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 63.1 110.876 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -120.49 108.55 14.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 65.45 110.856 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.4 p -123.25 140.03 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 74.54 111.125 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -132.71 113.64 13.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.473 . . . . 71.33 110.835 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.8 167.36 27.36 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 62.44 112.447 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.17 119.36 6.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.832 0.349 . . . . 74.11 110.904 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.3 t -42.67 -45.74 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 73.33 111.149 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.08 -48.97 79.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 74.25 110.847 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.74 ' HA ' HD12 ' A' ' 101' ' ' LEU . 61.0 mt -48.6 -54.36 14.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 75.13 110.94 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.629 HG22 HD21 ' A' ' 64' ' ' LEU . 46.9 pt -69.67 -29.12 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 70.21 111.114 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -70.06 -16.29 63.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 72.33 110.839 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' A' ' 98' ' ' LEU . 10.4 mt -76.16 -33.32 59.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 65.23 110.943 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.7 mp -82.73 -12.97 57.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.956 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.623 ' HA ' HD12 ' A' ' 106' ' ' ILE . 25.6 mt-10 -58.57 -55.0 50.45 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.66 0.743 . . . . 63.23 110.876 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 54.2 Cg_endo -69.74 -10.09 27.72 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.719 2.279 . . . . 73.13 112.296 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -94.4 -17.75 22.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 74.43 110.902 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.623 HD12 ' HA ' ' A' ' 103' ' ' GLU . 19.8 mt -55.58 -48.01 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 75.54 111.108 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.73 -35.92 56.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 64.22 111.131 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 64.31 110.837 -179.727 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.9 pttt . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.745 0.307 . . . . 74.23 110.897 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.69 -32.3 1.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 54.53 110.823 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -54.45 -47.91 72.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.475 . . . . 71.01 110.853 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -55.16 -39.43 69.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 65.44 110.938 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.607 HG21 ' HA ' ' A' ' 72' ' ' PHE . 31.0 t -58.32 -57.1 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 74.3 111.134 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -48.75 -41.85 33.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 72.03 110.819 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.56 -47.98 83.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 71.4 111.121 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.07 -49.27 69.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 75.32 110.908 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.4 mt -54.91 -43.14 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.53 111.142 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.27 -53.57 28.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 65.53 111.167 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.9 tttt -54.82 -32.22 60.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.86 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.47 -35.03 75.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 74.55 110.822 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.668 ' HA ' HD12 ' A' ' 19' ' ' ILE . 66.9 mt -60.7 -33.47 72.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 71.15 110.846 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.518 ' HA ' HG11 ' A' ' 51' ' ' VAL . 70.3 mt-10 -63.47 -17.14 62.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 73.03 110.916 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.1 m -77.04 -42.26 39.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 62.03 110.837 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.668 HD12 ' HA ' ' A' ' 16' ' ' LEU . 8.0 mt -48.29 104.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 72.51 111.127 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.41 145.72 99.03 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.664 0.745 . . . . 72.22 110.87 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.76 -20.71 34.46 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.638 2.225 . . . . 73.52 112.295 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.64 5.36 39.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 74.4 111.097 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -165.14 104.79 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 71.22 110.903 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.0 mmm-85 -99.25 -168.27 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 73.04 110.857 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -155.21 82.72 1.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 73.4 110.868 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.43 HG11 HD23 ' A' ' 98' ' ' LEU . 40.6 t 60.55 95.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 62.44 111.16 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.28 126.26 32.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 64.43 110.91 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.701 ' CD2' HD22 ' A' ' 98' ' ' LEU . 11.0 p-80 -169.76 179.19 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 70.02 110.821 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.9 t -126.16 138.51 54.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 54.23 111.176 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.726 ' OH ' HD11 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -136.3 149.02 48.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 71.04 110.908 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -105.69 148.96 26.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 74.42 110.867 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.11 146.54 45.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.13 110.885 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.6 mtt180 -128.61 127.78 42.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 75.14 110.892 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.603 ' O ' HG12 ' A' ' 41' ' ' VAL . 47.4 mm -116.11 98.47 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 73.2 111.144 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 40' ' ' VAL . 1.4 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 73.35 111.193 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.436 ' HA ' ' HA ' ' A' ' 35' ' ' THR . 8.4 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.861 0.362 . . . . 63.31 111.112 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 34' ' ' ILE . 2.0 p -94.48 -27.92 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 44.34 111.165 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.34 153.36 1.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 64.32 110.907 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -95.52 158.18 15.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 72.11 110.883 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.41 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.7 OUTLIER -133.64 145.42 49.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 73.33 110.871 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 56' ' ' SER . 31.1 t -129.27 138.34 54.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 60.54 111.141 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.7 99.55 10.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 72.04 110.902 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.99 94.6 7.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 72.4 110.873 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.726 HD11 ' OH ' ' A' ' 30' ' ' TYR . 16.3 mt -83.91 -3.12 57.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 74.54 110.875 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -85.49 -55.19 4.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 64.21 110.885 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -88.22 -6.12 58.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 41.4 110.852 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.647 HG13 ' HB3' ' A' ' 16' ' ' LEU . 5.5 t 70.75 49.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 71.44 111.115 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -148.51 163.72 36.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 73.31 110.918 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.5 mp -120.75 100.95 7.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 71.22 110.949 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 m -97.37 175.75 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 72.4 111.141 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.4 pm0 -109.69 113.36 26.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 73.52 110.876 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.72 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -168.23 165.23 13.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 73.41 110.835 -179.784 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -122.09 116.5 24.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 71.22 110.872 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.23 166.3 33.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 62.33 110.893 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.74 159.67 0.36 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.448 . . . . 64.14 111.083 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.633 ' HB1' ' HA ' ' A' ' 30' ' ' TYR . . . -168.73 140.21 2.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 60.25 111.098 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -63.96 -14.99 58.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 63.55 110.862 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -147.08 124.18 11.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 60.23 111.114 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 41.8 m -100.09 128.95 46.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 73.24 111.138 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.67 139.16 52.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 42.2 110.944 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.711 HG22 ' O ' ' A' ' 91' ' ' GLU . 1.2 t -138.15 136.03 36.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.43 . . . . 74.44 111.137 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.513 ' HG3' ' HG2' ' A' ' 90' ' ' MET . 0.0 OUTLIER -157.07 142.67 17.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.879 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -76.1 159.76 30.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 74.44 110.865 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.98 -59.18 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 75.34 110.879 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -53.09 -37.83 62.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 74.02 110.813 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.8 mm -65.54 -46.09 90.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 73.31 111.14 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.55 ' HG3' HG11 ' A' ' 8' ' ' VAL . 62.6 tpp -51.11 -44.55 61.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 75.0 110.907 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.607 ' HA ' HG21 ' A' ' 8' ' ' VAL . 56.1 t80 -66.97 -30.92 71.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 63.32 110.907 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.73 -59.33 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.067 -0.515 . . . . 72.11 111.148 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 57.2 mt -66.28 -45.54 89.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 62.02 111.158 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.29 -39.67 51.7 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 54.01 112.559 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 46.0 p -93.03 8.67 38.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 74.33 111.125 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.53 24.0 51.1 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.796 -0.716 . . . . 72.34 112.493 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.4 -39.28 81.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 51.42 111.127 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.5 mt -121.15 152.75 57.45 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.627 0.727 . . . . 75.14 110.901 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 126.47 13.37 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.676 2.25 . . . . 72.45 112.351 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.456 ' HB1' ' HE1' ' A' ' 85' ' ' MET . . . -63.45 -28.37 69.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 35.22 111.083 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -71.15 -57.0 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 64.02 110.905 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.45 -43.9 93.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 73.2 110.834 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.93 -52.35 43.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 63.32 111.161 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.456 ' HE1' ' HB1' ' A' ' 81' ' ' ALA . 6.1 mtt -75.23 -26.65 59.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 72.33 110.9 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.75 -33.88 70.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 44.2 111.054 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -87.45 27.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 63.45 110.933 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 46.56 29.57 0.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.858 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.43 ' O ' ' HG3' ' A' ' 90' ' ' MET . 3.0 mttt -90.05 3.43 53.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 64.21 110.919 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.513 ' HG2' ' HG3' ' A' ' 66' ' ' MET . 3.5 mtm -154.58 147.09 24.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 63.1 110.858 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.711 ' O ' HG22 ' A' ' 65' ' ' THR . 5.4 mm-40 -116.59 108.43 15.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 65.45 110.87 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.7 p -124.85 137.67 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 74.54 111.163 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -132.44 112.64 12.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.888 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.47 167.66 27.47 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.712 -0.756 . . . . 62.44 112.509 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.64 118.09 3.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.846 0.355 . . . . 74.11 110.915 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 83.7 t -42.55 -44.17 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 73.33 111.116 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.86 -50.07 75.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 74.25 110.892 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.701 HD22 ' CD2' ' A' ' 28' ' ' HIS . 75.0 mt -48.1 -54.07 14.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 75.13 110.91 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.1 pt -71.51 -23.39 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 70.21 111.103 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -75.32 -14.15 60.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 72.33 110.819 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.63 -34.13 60.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 65.23 110.892 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.6 mp -85.77 -7.33 58.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 74.32 110.913 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.635 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 15.7 mt-10 -64.88 -52.42 50.1 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.655 0.74 . . . . 63.23 110.894 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.9 Cg_endo -69.69 -8.35 23.38 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.708 2.272 . . . . 73.13 112.381 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -97.41 -17.37 19.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 74.43 110.853 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.585 HD12 ' HA ' ' A' ' 103' ' ' GLU . 21.8 mt -53.64 -48.22 60.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 75.54 111.122 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.98 -37.65 71.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.481 . . . . 64.22 111.055 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 64.31 110.858 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.6 mmpt? . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.789 0.328 . . . . 74.23 110.886 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.48 -32.62 1.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 54.53 110.913 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -54.03 -49.84 68.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.495 . . . . 71.01 110.924 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -52.67 -38.14 59.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 65.44 110.933 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.685 HG11 ' HG3' ' A' ' 71' ' ' MET . 67.3 t -50.81 -61.47 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 74.3 111.141 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -49.94 -47.83 52.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 72.03 110.858 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.29 91.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 71.4 111.134 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -57.0 -52.57 64.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 75.32 110.904 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.3 mt -53.85 -58.2 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 74.53 111.131 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.27 -51.61 43.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 65.53 111.132 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -55.48 -32.43 62.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 74.23 110.919 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.95 -35.48 72.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 74.55 110.818 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.653 ' HB3' HD12 ' A' ' 19' ' ' ILE . 6.6 mt -66.37 -19.87 65.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 71.15 110.896 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -54.81 -23.82 19.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 73.03 110.832 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.36 -23.99 34.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 62.03 110.9 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.751 HG23 ' CZ ' ' A' ' 24' ' ' ARG . 84.1 mt -49.29 104.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 72.51 111.101 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.08 143.19 27.48 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.596 0.712 . . . . 72.22 110.856 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -13.89 35.14 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.683 2.255 . . . . 73.52 112.285 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.32 -8.44 56.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 74.4 111.095 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -171.69 103.79 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 71.22 110.897 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.751 ' CZ ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -122.74 173.91 7.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 73.04 110.857 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -123.32 -55.87 1.74 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 73.4 110.887 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.647 HG11 HD23 ' A' ' 98' ' ' LEU . 30.8 t -153.1 115.44 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 62.44 111.126 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -108.08 125.24 51.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.146 -0.479 . . . . 64.43 110.839 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -170.36 175.54 4.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.067 -0.515 . . . . 70.02 110.916 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.1 t -93.14 134.13 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 54.23 111.072 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -123.98 141.77 51.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 71.04 110.939 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -106.94 137.94 44.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 74.42 110.876 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -129.01 117.97 21.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 73.13 110.917 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.523 ' CB ' HG23 ' A' ' 65' ' ' THR . 0.0 OUTLIER -97.81 135.36 39.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 75.14 110.854 -179.889 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.4 HD12 ' HE3' ' A' ' 71' ' ' MET . 20.4 mm -112.29 90.73 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 73.2 111.071 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.763 HG22 HG22 ' A' ' 40' ' ' VAL . 11.0 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 73.35 111.187 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.763 HG22 HG22 ' A' ' 35' ' ' THR . 58.8 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.857 0.361 . . . . 63.31 111.189 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.2 m -120.28 -26.45 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 44.34 111.096 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.73 146.73 14.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 64.32 110.862 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.14 156.28 17.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 72.11 110.859 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.436 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -141.87 149.84 40.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 73.33 110.883 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.643 HG23 ' CG2' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -129.44 142.42 43.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 60.54 111.135 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.452 ' SD ' HD21 ' A' ' 53' ' ' LEU . 1.1 tpp -100.26 106.63 18.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 72.04 110.877 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.38 84.61 6.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 72.4 110.88 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.21 -13.55 60.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 74.54 110.988 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.25 -51.29 8.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 64.21 110.877 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -85.19 -6.43 59.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 41.4 110.887 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.454 HG12 ' HB2' ' A' ' 16' ' ' LEU . 3.1 t 67.64 43.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 71.44 111.126 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.23 168.16 24.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 73.31 110.868 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.452 HD21 ' SD ' ' A' ' 46' ' ' MET . 4.8 mp -118.78 136.58 53.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 71.22 110.934 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.643 ' CG2' HG23 ' A' ' 45' ' ' VAL . 3.1 m -136.86 165.85 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 72.4 111.158 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.436 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.2 pm0 -99.5 106.46 18.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 73.52 110.921 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.407 ' N ' HG22 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -167.72 163.6 14.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 73.41 110.873 -179.807 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.93 117.29 23.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 71.22 110.897 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.485 ' OD2' HG11 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -146.01 161.92 39.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 62.33 110.849 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.72 91.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 64.14 111.144 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.03 150.16 20.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 60.25 111.07 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -22.32 66.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 63.55 110.915 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.7 124.1 18.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 60.23 111.091 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.5 m -102.92 127.86 49.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 73.24 111.084 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.654 HD21 HG22 ' A' ' 99' ' ' ILE . 1.1 mp -124.21 108.64 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 42.2 110.936 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.523 HG23 ' CB ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -102.9 129.73 49.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 74.44 111.161 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.786 ' HG2' HG21 ' A' ' 70' ' ' ILE . 3.5 mtm -156.97 157.45 34.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 74.32 110.902 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -86.78 157.99 19.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 74.44 110.879 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.63 -56.37 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 75.34 110.862 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.79 -41.38 57.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 74.02 110.879 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.786 HG21 ' HG2' ' A' ' 66' ' ' MET . 15.1 mm -62.08 -41.78 92.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 73.31 111.135 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.685 ' HG3' HG11 ' A' ' 8' ' ' VAL . 3.1 tpp -51.74 -44.12 63.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.204 -0.453 . . . . 75.0 110.922 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.658 ' O ' HG22 ' A' ' 76' ' ' THR . 41.0 t80 -70.38 -30.47 67.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 63.32 110.903 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.06 -59.97 2.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.11 -0.495 . . . . 72.11 111.116 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.2 mt -72.02 -35.58 54.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 62.02 111.109 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -48.74 -41.64 27.46 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.655 -0.783 . . . . 54.01 112.555 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.658 HG22 ' O ' ' A' ' 72' ' ' PHE . 3.8 t -101.47 7.57 42.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.343 . . . . 74.33 111.154 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.79 34.05 88.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 72.34 112.521 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.57 -41.51 54.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.331 . . . . 51.42 111.063 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.3 mt -115.19 157.75 42.89 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.643 0.735 . . . . 75.14 110.855 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.69 106.78 1.71 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.691 2.261 . . . . 72.45 112.406 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.48 ' HB1' ' HE3' ' A' ' 85' ' ' MET . . . -56.05 -28.77 58.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 35.22 111.096 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -49.77 42.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 64.02 110.864 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.32 -44.39 95.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 73.2 110.893 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.62 -52.29 48.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 63.32 111.115 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.48 ' HE3' ' HB1' ' A' ' 81' ' ' ALA . 7.9 mtt -74.61 -26.62 60.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.827 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.87 -29.69 70.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 44.2 111.108 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -88.06 28.18 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 63.45 110.878 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 47.27 28.3 1.01 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.431 . . . . 74.43 110.816 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.91 1.66 56.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 64.21 110.83 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.9 mtm -152.25 147.73 26.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 63.1 110.853 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -121.43 108.48 13.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 65.45 110.903 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 63.6 t -121.05 139.62 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 74.54 111.159 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -132.86 113.4 12.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 71.33 110.881 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.93 167.93 28.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 62.44 112.454 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.494 ' CB ' HD12 ' A' ' 98' ' ' LEU . 13.2 tp60 -54.48 116.51 2.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 74.11 110.869 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 64.5 t -42.93 -46.98 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 73.33 111.094 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -57.8 -49.83 75.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 74.25 110.874 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.647 HD23 HG11 ' A' ' 26' ' ' VAL . 65.1 mt -48.46 -54.12 15.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 75.13 110.944 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.654 HG22 HD21 ' A' ' 64' ' ' LEU . 46.2 pt -71.06 -26.11 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 70.21 111.083 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -76.11 -15.84 60.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 72.33 110.847 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.562 HD13 ' HB ' ' A' ' 26' ' ' VAL . 13.9 mt -75.76 -33.54 60.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 65.23 110.915 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.3 mp -83.1 -11.32 58.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 74.32 110.926 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.717 ' HA ' HD12 ' A' ' 106' ' ' ILE . 17.5 mt-10 -60.84 -53.48 63.71 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.645 0.736 . . . . 63.23 110.854 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 54.7 Cg_endo -69.72 -10.16 27.9 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.664 2.242 . . . . 73.13 112.403 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -96.85 -16.2 20.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 74.43 110.894 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' A' ' 103' ' ' GLU . 19.8 mt -57.13 -41.58 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 75.54 111.11 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.34 -39.58 70.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 64.22 111.122 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 64.31 110.862 -179.786 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.792 0.33 . . . . 74.23 110.912 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.409 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 0.8 OUTLIER -43.81 -30.89 0.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 54.53 110.898 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -53.49 -48.8 68.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.08 -0.509 . . . . 71.01 110.86 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -50.29 -37.59 37.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 65.44 110.905 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.617 HG21 ' HA ' ' A' ' 72' ' ' PHE . 72.7 t -57.97 -60.28 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 74.3 111.1 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -48.73 -49.16 39.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 72.03 110.892 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.15 -41.1 97.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 71.4 111.092 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -61.81 -52.77 62.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 75.32 110.913 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.2 mt -54.26 -49.04 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 74.53 111.097 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.816 ' HA ' HD23 ' A' ' 16' ' ' LEU . . . -63.54 -54.14 40.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 65.53 111.048 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -55.54 -28.16 53.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.867 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -36.38 53.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 74.55 110.948 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.816 HD23 ' HA ' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -71.24 -19.78 62.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 71.15 110.927 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 13' ' ' ALA . 60.7 mt-10 -87.95 -10.22 51.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 73.03 110.876 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 m -74.05 -41.15 62.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 62.03 110.892 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.581 HG22 ' HD2' ' A' ' 24' ' ' ARG . 2.3 mp -47.88 104.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 72.51 111.112 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.56 144.34 72.7 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 121.64 0.733 . . . . 72.22 110.942 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -11.36 30.73 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.241 . . . . 73.52 112.406 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.91 -4.9 54.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 74.4 111.059 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -173.83 104.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 71.22 110.914 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.581 ' HD2' HG22 ' A' ' 19' ' ' ILE . 48.9 mmm-85 -102.94 -170.73 1.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 73.04 110.822 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.85 -78.78 0.6 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 73.4 110.92 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.8 t -137.66 122.26 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 62.44 111.159 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -110.56 126.71 54.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 64.43 110.913 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -167.77 175.58 6.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 70.02 110.828 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.0 t -96.24 124.58 49.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 54.23 111.12 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.595 ' HD1' ' HB3' ' A' ' 62' ' ' ALA . 35.6 m-85 -122.77 155.0 37.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 71.04 110.935 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -120.67 136.31 54.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 74.42 110.86 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.64 119.28 26.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 73.13 110.861 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.544 ' HB2' HG23 ' A' ' 65' ' ' THR . 0.3 OUTLIER -98.42 132.8 43.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 75.14 110.835 -179.831 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.534 ' O ' HG22 ' A' ' 41' ' ' VAL . 33.2 mm -114.73 114.06 45.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 73.2 111.224 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.595 HG22 HG22 ' A' ' 40' ' ' VAL . 57.9 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 73.35 111.041 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.595 HG22 HG22 ' A' ' 35' ' ' THR . 72.6 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.85 0.357 . . . . 63.31 111.111 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.534 HG22 ' O ' ' A' ' 34' ' ' ILE . 2.5 m -90.33 -33.74 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 44.34 111.105 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.76 147.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 64.32 110.922 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.0 162.13 17.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 72.11 110.803 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.552 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 1.0 OUTLIER -137.63 149.48 46.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 73.33 110.934 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 56' ' ' SER . 32.3 t -124.2 138.44 53.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 60.54 111.133 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.605 ' HG3' HD21 ' A' ' 53' ' ' LEU . 2.2 ttm -100.35 97.2 7.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 72.04 110.85 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -77.73 78.47 4.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 72.4 110.892 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.96 -14.18 60.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 74.54 110.95 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.82 -47.9 15.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 64.21 110.909 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.427 ' C ' HG23 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -90.89 -2.71 57.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 41.4 110.881 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.654 ' C ' HD11 ' A' ' 16' ' ' LEU . 2.8 t 69.2 47.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 71.44 111.094 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.75 168.0 24.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 73.31 110.915 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.745 HD12 ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -131.3 101.57 5.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 71.22 110.929 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 m -102.36 173.27 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 72.4 111.163 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.552 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -106.82 112.75 25.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 73.52 110.837 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.681 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -167.15 166.52 14.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 73.41 110.86 -179.764 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.88 117.61 24.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 71.22 110.879 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.4 162.47 40.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 62.33 110.882 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.99 92.98 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 64.14 111.075 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.51 151.28 19.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 60.25 111.124 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -64.35 -19.78 65.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 63.55 110.928 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.595 ' HB3' ' HD1' ' A' ' 30' ' ' TYR . . . -141.2 124.28 16.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 60.23 111.139 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 83.8 m -104.84 129.45 53.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 73.24 111.137 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.48 113.84 19.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 42.2 110.936 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.544 HG23 ' HB2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -108.55 128.31 54.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 74.44 111.171 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.594 ' HG2' HG21 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -159.78 152.95 21.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.32 110.868 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.445 ' O ' ' HB ' ' A' ' 70' ' ' ILE . 1.9 mm-40 -80.61 163.31 23.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 74.44 110.854 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.499 ' HA ' ' HE3' ' A' ' 71' ' ' MET . 0.4 OUTLIER -55.24 -55.15 34.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 75.34 110.8 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.19 -37.86 72.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 74.02 110.852 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.594 HG21 ' HG2' ' A' ' 66' ' ' MET . 14.4 mm -52.64 -46.58 49.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 73.31 111.168 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.499 ' HE3' ' HA ' ' A' ' 68' ' ' ASP . 4.1 ptp -52.02 -33.8 40.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 75.0 110.911 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.617 ' HA ' HG21 ' A' ' 8' ' ' VAL . 25.4 t80 -71.26 -30.59 66.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 63.32 110.874 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.27 -60.73 2.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 72.11 111.179 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.424 HD11 ' SD ' ' A' ' 90' ' ' MET . 77.5 mt -70.09 -45.35 76.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 62.02 111.166 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -51.11 -41.08 45.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.732 . . . . 54.01 112.503 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 32.8 p -88.69 -5.43 58.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 74.33 111.154 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.75 13.57 82.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.807 -0.711 . . . . 72.34 112.431 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.06 -41.67 79.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 51.42 111.046 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.26 148.63 58.49 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.555 0.693 . . . . 75.14 110.929 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 130.19 18.95 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.655 2.237 . . . . 72.45 112.445 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.433 ' HB1' ' CE ' ' A' ' 85' ' ' MET . . . -61.75 -27.89 69.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 35.22 111.061 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -56.96 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 64.02 110.871 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -44.27 84.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 73.2 110.882 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.79 -52.82 37.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 63.32 111.057 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.433 ' CE ' ' HB1' ' A' ' 81' ' ' ALA . 5.0 mtm -72.77 -26.74 61.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.928 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.43 -33.39 73.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 44.2 111.155 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -85.74 27.88 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 63.45 110.933 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 46.93 28.79 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 74.43 110.856 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -93.07 0.75 57.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 64.21 110.887 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.424 ' SD ' HD11 ' A' ' 74' ' ' ILE . 2.5 mtm -148.55 143.54 26.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 63.1 110.826 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -116.94 108.85 16.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 65.45 110.939 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.9 p -130.15 138.51 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 74.54 111.166 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -131.75 113.56 13.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 71.33 110.858 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.16 167.92 28.58 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.763 -0.732 . . . . 62.44 112.501 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.539 ' CB ' HD12 ' A' ' 98' ' ' LEU . 13.2 tp60 -54.46 119.31 5.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.832 0.348 . . . . 74.11 110.908 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.0 t -42.78 -48.5 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 73.33 111.12 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -58.02 -50.5 73.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 74.25 110.911 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.706 ' HA ' HD12 ' A' ' 101' ' ' LEU . 54.1 mt -48.29 -54.21 14.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.144 -0.48 . . . . 75.13 110.926 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 36.2 pt -71.24 -25.03 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 70.21 111.1 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -72.72 -12.09 60.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 72.33 110.882 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' A' ' 98' ' ' LEU . 6.1 mt -75.73 -35.07 60.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 65.23 110.852 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.468 HD21 ' SD ' ' A' ' 46' ' ' MET . 4.7 mp -85.07 -7.7 58.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.902 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.672 ' HA ' HD12 ' A' ' 106' ' ' ILE . 13.9 mt-10 -63.9 -53.5 48.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.622 0.725 . . . . 63.23 110.803 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.617 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.8 Cg_endo -69.7 -8.43 23.58 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.67 2.247 . . . . 73.13 112.405 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -96.56 -17.1 20.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.945 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.672 HD12 ' HA ' ' A' ' 103' ' ' GLU . 17.4 mt -57.57 -43.37 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.059 -0.519 . . . . 75.54 111.142 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.9 87.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 64.22 111.142 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 64.31 110.824 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.763 0.316 . . . . 74.23 110.876 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.469 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 6.5 p -44.31 -29.62 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 54.53 110.849 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -53.91 -44.13 70.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 71.01 110.905 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -52.85 -36.4 58.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 65.44 110.882 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.636 HG11 ' HG3' ' A' ' 71' ' ' MET . 25.3 t -55.3 -60.5 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 74.3 111.107 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -49.83 -45.08 49.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 72.03 110.885 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.33 92.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 71.4 111.058 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.32 -51.05 70.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 75.32 110.913 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.9 mt -58.77 -35.53 56.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 74.53 111.193 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.74 ' HA ' HD23 ' A' ' 16' ' ' LEU . . . -71.19 -55.14 8.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 65.53 111.089 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -55.08 -30.23 59.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.23 110.902 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.0 -34.29 50.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 74.55 110.908 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.74 HD23 ' HA ' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -78.84 -30.27 45.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 71.15 110.873 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 13' ' ' ALA . 40.7 mt-10 -64.52 -23.71 67.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 73.03 110.871 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.43 -21.72 59.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 62.03 110.843 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.5 mt -52.78 104.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 72.51 111.122 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.61 143.47 54.91 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.579 0.704 . . . . 72.22 110.844 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -15.03 36.64 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.715 2.277 . . . . 73.52 112.381 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.96 -5.4 43.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 74.4 111.112 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -170.05 104.47 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 71.22 110.904 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.2 mmm-85 -111.56 -170.06 1.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 73.04 110.839 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -131.11 -85.65 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 73.4 110.896 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.536 HG12 ' CD2' ' A' ' 28' ' ' HIS . 2.8 t -126.11 116.56 46.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 62.44 111.132 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -93.12 126.19 38.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 64.43 110.873 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.672 ' O ' HD13 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -169.87 179.82 3.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 70.02 110.865 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.4 t -132.69 123.23 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 54.23 111.079 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.797 ' HA ' ' HB1' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -125.26 160.94 28.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 71.04 110.905 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -106.07 144.37 32.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 74.42 110.925 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.87 120.38 31.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 73.13 110.903 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.754 ' HB3' HG23 ' A' ' 65' ' ' THR . 0.0 OUTLIER -99.35 130.57 45.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 75.14 110.871 -179.885 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.503 ' O ' HG22 ' A' ' 41' ' ' VAL . 43.2 mm -115.36 90.89 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 73.2 111.051 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 40' ' ' VAL . 3.3 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 73.35 111.122 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.448 ' HA ' ' HA ' ' A' ' 35' ' ' THR . 90.7 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.877 0.37 . . . . 63.31 111.106 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 34' ' ' ILE . 12.1 m -113.01 -27.67 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 44.34 111.07 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.6 138.46 1.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 64.32 110.911 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.37 163.31 17.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 72.11 110.942 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.41 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.6 OUTLIER -137.72 145.87 43.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 73.33 110.892 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 56' ' ' SER . 25.6 t -132.94 138.22 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 60.54 111.076 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.05 110.15 22.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 72.04 110.916 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -87.63 91.9 8.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 72.4 110.778 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.765 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 5.8 mp -79.29 -8.09 58.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 74.54 110.956 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -82.48 -54.06 5.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 64.21 110.866 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.463 ' C ' HG23 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -85.93 -4.22 59.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 41.4 110.876 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.664 HG12 HD12 ' A' ' 16' ' ' LEU . 2.0 t 64.47 46.37 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 71.44 111.245 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -149.44 150.0 31.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 73.31 110.914 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.511 HD12 ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -100.54 137.32 39.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 71.22 110.868 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.4 m -139.91 165.31 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 72.4 111.12 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -105.09 112.96 26.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 73.52 110.894 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.832 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -168.61 169.64 10.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 73.41 110.909 -179.766 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.25 114.66 19.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 71.22 110.9 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -156.65 167.94 28.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 62.33 110.878 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.38 157.62 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 64.14 111.122 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.797 ' HB1' ' HA ' ' A' ' 30' ' ' TYR . . . -167.39 140.58 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 60.25 111.167 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -15.58 59.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 63.55 110.899 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.639 ' HB2' HD13 ' A' ' 98' ' ' LEU . . . -147.27 124.88 11.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 60.23 111.092 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 64.7 m -101.82 129.96 48.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 73.24 111.15 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.06 135.82 52.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.47 . . . . 42.2 110.925 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.754 HG23 ' HB3' ' A' ' 33' ' ' ARG . 1.7 m -128.38 131.1 48.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 74.44 111.094 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 34.2 mtt -157.13 147.47 21.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 74.32 110.865 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -85.05 163.09 19.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 74.44 110.867 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.57 -58.44 5.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 75.34 110.849 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -51.99 -40.97 61.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 74.02 110.859 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' ' 70' ' ' ILE . 16.2 mm -58.99 -38.43 73.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 73.31 111.073 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.636 ' HG3' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -58.92 -42.68 90.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 75.0 110.875 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -71.01 -30.22 66.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 63.32 110.919 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.616 ' HB1' HD21 ' A' ' 79' ' ' LEU . . . -75.84 -59.43 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 72.11 111.032 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 80.0 mt -71.79 -43.49 69.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 62.02 111.172 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.56 -40.92 55.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 54.01 112.473 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 30.7 p -89.4 3.19 53.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.854 0.359 . . . . 74.33 111.132 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.47 26.31 68.0 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 72.34 112.435 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.38 -40.72 77.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 51.42 111.101 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.616 HD21 ' HB1' ' A' ' 73' ' ' ALA . 0.9 OUTLIER -126.61 158.52 67.42 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.646 0.736 . . . . 75.14 110.924 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 125.54 12.3 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.669 2.246 . . . . 72.45 112.394 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.66 -26.91 68.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 35.22 111.088 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -71.1 -56.01 7.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 64.02 110.899 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.45 -42.42 82.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 73.2 110.887 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.25 -51.15 56.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 63.32 111.1 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 7.3 mtm -76.14 -26.98 56.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.907 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.55 -32.51 70.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 44.2 111.113 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -89.92 28.44 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 63.45 110.896 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 48.71 28.16 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 74.43 110.888 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.48 1.01 53.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 64.21 110.92 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -157.2 151.57 25.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 63.1 110.854 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -120.72 108.41 13.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 65.45 110.916 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.0 p -123.32 139.1 51.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.116 -0.493 . . . . 74.54 111.12 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -131.0 112.51 13.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 71.33 110.881 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 165.85 167.45 26.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.83 -0.7 . . . . 62.44 112.491 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.414 ' HB3' ' HG ' ' A' ' 98' ' ' LEU . 0.7 OUTLIER -54.79 117.8 3.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 74.11 110.912 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.0 t -42.64 -41.9 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 73.33 111.201 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.87 -50.22 74.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 74.25 110.908 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.639 HD13 ' HB2' ' A' ' 62' ' ' ALA . 80.7 mt -48.08 -54.63 12.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 75.13 110.864 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.8 pt -71.19 -23.09 22.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 70.21 111.113 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -76.34 -14.26 60.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.272 -0.422 . . . . 72.33 110.906 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.91 -38.01 58.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 65.23 110.93 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.7 mp -83.54 -5.92 59.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.969 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.601 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 16.8 mt-10 -65.76 -54.89 25.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.633 0.73 . . . . 63.23 110.852 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.5 Cg_endo -69.68 -8.45 23.63 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.653 2.236 . . . . 73.13 112.311 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -94.93 -16.47 22.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.842 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.591 HD12 ' HA ' ' A' ' 103' ' ' GLU . 13.4 mt -56.59 -38.54 57.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 75.54 111.137 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.5 -40.82 89.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 64.22 111.085 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 64.31 110.766 -179.701 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.828 0.346 . . . . 74.23 110.936 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.401 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 5.5 m -45.17 -30.46 1.17 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.224 -0.444 . . . . 54.53 110.913 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -54.06 -50.2 67.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.503 . . . . 71.01 110.824 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.9 -36.42 38.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 65.44 110.871 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.698 HG11 ' HG3' ' A' ' 71' ' ' MET . 89.2 t -56.56 -61.02 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 74.3 111.113 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -48.93 -47.15 43.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 72.03 110.854 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.78 -45.25 93.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 71.4 111.148 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -56.5 -51.31 68.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 75.32 110.956 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.3 mt -55.43 -56.8 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 74.53 111.121 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.1 -53.03 58.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 65.53 111.154 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -25.82 38.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.869 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -33.27 55.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 74.55 110.856 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.506 ' HB2' HG12 ' A' ' 51' ' ' VAL . 5.7 mt -67.72 -39.11 84.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 71.15 110.932 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -61.6 -18.39 59.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 73.03 110.898 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 t -74.93 -50.83 15.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 62.03 110.881 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 16' ' ' LEU . 2.6 mp -48.33 104.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 72.51 111.094 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.17 144.85 75.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.612 0.72 . . . . 72.22 110.855 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -17.51 37.41 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.636 2.224 . . . . 73.52 112.266 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.87 -5.44 43.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.336 -0.393 . . . . 74.4 111.084 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -164.34 104.21 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 71.22 110.942 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.5 mmm-85 -109.33 -179.33 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 73.04 110.897 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -119.5 -79.87 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 73.4 110.92 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.649 HG12 ' CD2' ' A' ' 28' ' ' HIS . 2.6 t -139.88 112.67 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 62.44 111.08 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -104.03 126.79 51.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 64.43 110.938 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.649 ' CD2' HG12 ' A' ' 26' ' ' VAL . 1.4 p80 -167.64 169.18 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 70.02 110.87 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.2 t -86.86 126.53 40.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 54.23 111.152 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.641 ' CE1' ' HB3' ' A' ' 62' ' ' ALA . 0.9 OUTLIER -112.95 173.06 6.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 71.04 110.944 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -138.29 133.85 33.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 74.42 110.891 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.9 128.01 46.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 73.13 110.894 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -113.16 135.58 53.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 75.14 110.947 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.629 ' O ' HG12 ' A' ' 41' ' ' VAL . 27.8 mm -114.22 105.1 18.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 73.2 111.129 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.514 HG22 ' HA ' ' A' ' 40' ' ' VAL . 6.9 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 73.35 111.177 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.514 ' HA ' HG22 ' A' ' 35' ' ' THR . 14.7 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.801 0.334 . . . . 63.31 111.18 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.629 HG12 ' O ' ' A' ' 34' ' ' ILE . 1.4 p -120.62 -20.85 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 44.34 111.118 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.1 165.08 4.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 64.32 110.948 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -112.15 151.45 29.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 72.11 110.883 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -139.89 157.57 45.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 73.33 110.943 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.643 HG13 ' CG2' ' A' ' 54' ' ' VAL . 1.7 p -145.46 138.62 21.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 60.54 111.098 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -98.98 116.36 31.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 72.04 110.906 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -92.22 86.98 5.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 72.4 110.865 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.3 -6.21 41.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 74.54 110.893 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.14 -53.99 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 64.21 110.911 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.405 ' C ' HG23 ' A' ' 51' ' ' VAL . 3.3 m120 -83.87 -8.35 59.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 41.4 110.889 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.506 HG12 ' HB2' ' A' ' 16' ' ' LEU . 3.0 t 68.7 41.07 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 71.44 111.065 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.8 ptmt -149.4 156.77 42.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 73.31 110.883 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.5 mp -102.78 139.51 38.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 71.22 110.856 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.643 ' CG2' HG13 ' A' ' 45' ' ' VAL . 3.0 m -136.64 157.83 36.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 72.4 111.091 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.47 101.96 13.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 73.52 110.896 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.87 164.71 14.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 73.41 110.921 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.32 117.54 25.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 71.22 110.83 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -144.12 158.83 43.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 62.33 110.902 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.07 93.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 64.14 111.053 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.78 144.63 27.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 60.25 111.086 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.07 -16.9 62.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 63.55 110.863 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.641 ' HB3' ' CE1' ' A' ' 30' ' ' TYR . . . -144.82 124.36 13.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 60.23 111.119 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.8 m -106.45 130.26 54.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 73.24 111.121 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 mp -128.28 107.07 9.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 42.2 110.923 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 91' ' ' GLU . 1.2 t -98.56 134.5 41.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 74.44 111.17 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.564 ' HG2' HG21 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -159.89 152.27 20.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 74.32 110.824 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -83.74 158.56 21.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 74.44 110.868 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.84 -58.84 3.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 75.34 110.854 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.55 -47.23 63.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 74.02 110.855 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.564 HG21 ' HG2' ' A' ' 66' ' ' MET . 15.0 mm -53.03 -44.95 51.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 73.31 111.084 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.698 ' HG3' HG11 ' A' ' 8' ' ' VAL . 3.0 tpp -50.76 -42.39 57.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 75.0 110.886 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -68.09 -31.05 70.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 63.32 110.858 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.704 ' HB1' ' HG ' ' A' ' 79' ' ' LEU . . . -75.96 -59.49 2.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 72.11 111.083 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 44.7 mt -66.61 -46.27 86.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 62.02 111.113 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.52 -36.89 48.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 54.01 112.46 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 43.4 p -93.83 5.3 52.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.829 0.347 . . . . 74.33 111.139 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.37 32.01 71.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.824 -0.703 . . . . 72.34 112.43 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.37 -39.59 59.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.813 0.34 . . . . 51.42 111.132 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.704 ' HG ' ' HB1' ' A' ' 73' ' ' ALA . 0.8 OUTLIER -125.4 155.72 71.28 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.628 0.727 . . . . 75.14 110.944 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 126.52 13.39 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.665 2.244 . . . . 72.45 112.375 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.546 ' HB1' ' HE3' ' A' ' 85' ' ' MET . . . -64.42 -34.92 79.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 35.22 111.051 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -65.28 -54.76 24.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 64.02 110.934 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.12 -45.36 93.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 73.2 110.886 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.63 -50.08 55.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 63.32 111.047 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.546 ' HE3' ' HB1' ' A' ' 81' ' ' ALA . 8.2 mtt -77.32 -26.7 52.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 72.33 110.861 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.66 -29.27 69.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 44.2 111.137 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -88.22 29.03 0.99 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 63.45 110.908 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.0 t0 46.57 28.16 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 74.43 110.948 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.77 5.16 49.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 64.21 110.91 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.468 ' HG2' ' HG3' ' A' ' 66' ' ' MET . 0.0 OUTLIER -165.82 152.19 9.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 63.1 110.883 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.623 ' O ' HG22 ' A' ' 65' ' ' THR . 1.4 mt-10 -117.25 108.92 16.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 65.45 110.884 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.7 m -115.65 139.94 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 74.54 111.082 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -132.38 113.31 13.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 71.33 110.835 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.75 167.55 27.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.646 -0.788 . . . . 62.44 112.411 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.435 ' HB3' HD23 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -57.03 120.31 7.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 74.11 110.863 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 53.3 t -42.18 -43.35 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 73.33 111.171 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -46.75 72.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.064 -0.516 . . . . 74.25 110.972 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.435 HD23 ' HB3' ' A' ' 95' ' ' GLN . 0.9 OUTLIER -48.78 -54.62 14.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 75.13 110.933 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.8 pp -71.11 -15.59 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 70.21 111.134 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -83.62 -10.65 58.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 72.33 110.874 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.456 ' HG ' HG21 ' A' ' 26' ' ' VAL . 1.4 mm? -75.81 -37.56 59.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 65.23 110.93 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.9 mp -84.96 -6.21 59.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.32 110.914 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.628 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 10.9 mt-10 -64.15 -53.35 48.36 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.677 0.751 . . . . 63.23 110.883 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.628 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.6 Cg_endo -69.83 -8.54 23.85 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.675 2.25 . . . . 73.13 112.369 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -96.18 -17.25 20.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 74.43 110.82 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.597 HD12 ' HA ' ' A' ' 103' ' ' GLU . 18.0 mt -54.93 -47.37 76.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 75.54 111.132 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.0 80.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 64.22 111.117 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 64.31 110.877 -179.827 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.775 0.321 . . . . 74.23 110.887 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.71 -32.11 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 54.53 110.879 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -53.62 -50.91 64.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 71.01 110.875 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -52.1 -39.89 60.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 65.44 110.853 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.462 HG21 ' C ' ' A' ' 71' ' ' MET . 66.5 t -52.26 -59.98 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.3 111.165 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -49.65 -45.81 48.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 72.03 110.93 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.54 -44.4 89.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 71.4 111.056 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -64.1 -53.25 52.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 75.32 110.909 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.5 mt -56.94 -55.14 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 74.53 111.153 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.58 -53.41 38.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 65.53 111.069 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -54.09 -29.72 45.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.851 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -33.89 65.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 74.55 110.903 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.727 ' HB3' HD12 ' A' ' 19' ' ' ILE . 10.3 mt -65.69 -21.84 66.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 71.15 110.959 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -54.68 -22.95 15.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 73.03 110.838 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 t -85.49 -23.51 27.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 62.03 110.91 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.727 HD12 ' HB3' ' A' ' 16' ' ' LEU . 96.3 mt -49.6 104.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 72.51 111.146 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.41 143.38 27.98 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.676 0.751 . . . . 72.22 110.844 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -17.3 37.66 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.721 2.281 . . . . 73.52 112.3 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.5 -5.7 44.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 74.4 111.15 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -169.08 103.33 0.38 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 71.22 110.885 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.71 ' CZ ' HG23 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -130.52 174.68 9.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 73.04 110.932 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -128.02 -59.52 1.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 73.4 110.916 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.689 HG12 ' CD2' ' A' ' 28' ' ' HIS . 4.3 t -145.13 112.0 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 62.44 111.128 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.57 124.58 51.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 64.43 110.853 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.689 ' CD2' HG12 ' A' ' 26' ' ' VAL . 8.9 p80 -171.17 -179.51 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 70.02 110.911 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -86.07 128.04 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 54.23 111.152 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.467 ' O ' HG23 ' A' ' 45' ' ' VAL . 10.6 m-85 -107.72 173.24 6.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 71.04 110.942 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -139.83 130.51 25.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.933 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -127.34 133.0 50.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 73.13 110.81 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.681 ' HB2' HG23 ' A' ' 65' ' ' THR . 7.2 mtt85 -118.09 134.05 55.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 75.14 110.847 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.732 ' O ' HG12 ' A' ' 41' ' ' VAL . 33.6 mm -109.53 93.76 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 73.2 111.108 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.736 HG22 ' HA ' ' A' ' 40' ' ' VAL . 36.2 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 73.35 111.189 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.736 ' HA ' HG22 ' A' ' 35' ' ' THR . 21.9 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.933 0.397 . . . . 63.31 111.06 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.732 HG12 ' O ' ' A' ' 34' ' ' ILE . 1.3 p -121.21 -18.77 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 44.34 111.133 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -168.05 163.39 13.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 64.32 110.905 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -113.42 152.52 29.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 72.11 110.946 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.41 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -142.33 156.89 45.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 73.33 110.937 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.671 HG13 ' CG2' ' A' ' 54' ' ' VAL . 1.9 p -146.88 138.53 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 60.54 111.155 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -99.54 119.22 37.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 72.04 110.843 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -98.08 95.15 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 72.4 110.873 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.7 mt -79.38 0.69 28.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 74.54 110.892 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.73 -55.52 4.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 64.21 110.907 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -88.6 -7.76 55.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 41.4 110.855 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.5 t 69.02 45.13 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 71.44 111.173 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -149.58 137.51 20.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 73.31 110.888 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.81 139.82 31.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 71.22 110.938 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.671 ' CG2' HG13 ' A' ' 45' ' ' VAL . 3.1 m -138.95 161.13 29.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 72.4 111.13 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -103.09 107.52 18.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 73.52 110.855 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.49 164.46 12.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 73.41 110.855 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -117.73 117.09 28.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.125 -0.489 . . . . 71.22 110.844 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -148.04 157.83 43.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 62.33 110.897 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.64 93.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 64.14 111.036 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.27 146.71 24.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 60.25 111.101 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.58 -21.58 66.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 63.55 110.857 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.34 124.37 15.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 60.23 111.067 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 53.9 m -98.26 128.54 44.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 73.24 111.152 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.04 111.19 16.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 42.2 110.978 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.681 HG23 ' HB2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -109.97 129.55 55.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 74.44 111.129 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.603 ' HG2' HG21 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -159.31 162.33 35.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.9 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -92.38 160.94 14.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 74.44 110.926 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.4 -57.97 5.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.85 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.76 -33.57 23.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 74.02 110.823 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.603 HG21 ' HG2' ' A' ' 66' ' ' MET . 15.1 mm -74.88 -33.32 29.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 73.31 111.108 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.462 ' C ' HG21 ' A' ' 8' ' ' VAL . 8.4 mmt -60.16 -47.98 83.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.484 . . . . 75.0 110.837 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.728 ' O ' HG22 ' A' ' 76' ' ' THR . 83.6 t80 -71.35 -30.39 66.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 63.32 110.906 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.92 -59.38 2.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 72.11 111.094 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 57.8 mt -72.7 -35.36 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 62.02 111.131 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.11 -41.6 38.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 54.01 112.484 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.728 HG22 ' O ' ' A' ' 72' ' ' PHE . 5.2 t -98.79 4.44 47.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.879 0.371 . . . . 74.33 111.192 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.67 31.91 81.44 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.716 -0.754 . . . . 72.34 112.502 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.64 -37.82 87.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 51.42 111.117 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.402 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -123.74 159.4 56.0 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.635 0.731 . . . . 75.14 110.927 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 119.42 6.37 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.705 2.27 . . . . 72.45 112.324 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.668 ' HB1' ' HE1' ' A' ' 85' ' ' MET . . . -62.61 -26.23 68.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 35.22 111.073 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -56.42 6.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.296 -0.411 . . . . 64.02 110.872 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -63.05 -44.38 96.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 73.2 110.92 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.47 ' HB1' ' CE ' ' A' ' 90' ' ' MET . . . -51.52 -51.3 56.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.488 . . . . 63.32 111.153 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.668 ' HE1' ' HB1' ' A' ' 81' ' ' ALA . 5.2 mtt -75.88 -26.64 57.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.852 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.63 -33.22 71.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 44.2 111.093 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -87.95 28.14 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 63.45 110.955 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 47.57 28.56 1.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 74.43 110.914 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.08 6.75 46.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 64.21 110.801 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.47 ' CE ' ' HB1' ' A' ' 84' ' ' ALA . 1.6 mtm -150.4 142.48 24.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 63.1 110.876 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -117.52 108.85 16.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 65.45 110.863 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.4 t -131.41 139.01 51.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 74.54 111.13 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -131.1 113.37 13.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 71.33 110.873 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.88 167.55 27.74 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.717 -0.754 . . . . 62.44 112.441 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.62 119.19 4.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 74.11 110.902 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.9 t -42.75 -44.29 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 73.33 111.1 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.92 -50.37 73.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 74.25 110.93 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.666 HD22 ' NE2' ' A' ' 28' ' ' HIS . 70.1 mt -48.3 -54.33 14.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 75.13 110.919 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 28.9 pt -70.25 -21.77 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 70.21 111.146 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -79.63 -13.9 59.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 72.33 110.824 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.56 -40.89 56.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 65.23 111.005 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.5 mp -82.42 -7.05 59.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.93 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.626 ' HA ' HD12 ' A' ' 106' ' ' ILE . 13.4 mt-10 -62.52 -55.31 40.5 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.662 0.744 . . . . 63.23 110.909 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.9 Cg_endo -69.76 -9.08 25.23 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.721 2.28 . . . . 73.13 112.362 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -95.54 -16.97 21.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 74.43 110.879 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.626 HD12 ' HA ' ' A' ' 103' ' ' GLU . 16.2 mt -55.3 -46.16 78.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 75.54 111.14 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.19 -37.99 89.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 64.22 111.073 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 64.31 110.904 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.805 0.336 . . . . 74.23 110.884 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 p -44.63 -30.88 0.99 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 54.53 110.866 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.22 -50.0 68.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 71.01 110.884 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -53.22 -39.18 63.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 65.44 110.887 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.449 HG11 ' SD ' ' A' ' 71' ' ' MET . 73.3 t -57.46 -57.94 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 74.3 111.134 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -48.7 -44.51 38.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 72.03 110.923 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.18 -49.3 74.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 71.4 111.113 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -51.48 -51.84 51.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 75.32 110.893 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.3 mt -51.88 -58.91 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.53 111.191 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.74 -49.97 35.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 65.53 111.119 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -43.58 76.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 74.23 110.937 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -58.46 -37.25 75.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 74.55 110.923 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.834 ' HB2' HG13 ' A' ' 51' ' ' VAL . 3.2 mt -61.74 -18.78 61.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 71.15 110.981 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.719 ' HG2' HG11 ' A' ' 51' ' ' VAL . 50.5 mt-10 -80.63 -16.97 52.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 73.03 110.962 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.9 m -74.48 -46.11 41.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 62.03 110.845 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.4 mp -48.14 104.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 72.51 111.11 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.79 144.07 47.8 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.579 0.704 . . . . 72.22 110.882 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -21.49 33.44 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.676 2.251 . . . . 73.52 112.38 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.92 8.88 21.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 74.4 111.13 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -167.27 104.59 0.54 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 71.22 110.864 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 -109.47 175.26 5.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 73.04 110.928 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -115.34 -79.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 73.4 110.958 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.4 t -142.66 101.73 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 62.44 111.12 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -82.91 126.43 32.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 64.43 110.878 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.515 ' O ' HD13 ' A' ' 48' ' ' LEU . 2.5 m-70 -169.36 170.69 8.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 70.02 110.879 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.458 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 72.6 t -98.62 136.27 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 54.23 111.097 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.761 ' CD1' ' HB3' ' A' ' 62' ' ' ALA . 12.5 m-85 -126.66 166.89 16.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.252 -0.431 . . . . 71.04 110.891 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -139.06 137.88 36.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 74.42 110.869 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.26 150.1 34.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 73.13 110.921 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.753 ' CB ' HG23 ' A' ' 65' ' ' THR . 0.0 OUTLIER -125.22 126.34 45.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 75.14 110.895 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.711 ' O ' HG12 ' A' ' 41' ' ' VAL . 30.1 mm -107.34 92.43 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 73.2 111.196 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.706 HG22 ' HA ' ' A' ' 40' ' ' VAL . 7.9 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 73.35 111.175 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.706 ' HA ' HG22 ' A' ' 35' ' ' THR . 12.3 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.984 0.421 . . . . 63.31 111.071 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.711 HG12 ' O ' ' A' ' 34' ' ' ILE . 1.2 p -123.51 -19.25 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 44.34 111.138 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.13 165.17 3.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 64.32 110.877 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.15 153.22 31.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 72.11 110.872 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.442 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.6 OUTLIER -132.3 149.87 52.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.473 . . . . 73.33 110.94 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 56' ' ' SER . 82.6 t -126.21 138.74 53.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 60.54 111.143 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.479 ' HG3' HD11 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -100.53 97.53 8.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 72.04 110.898 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -83.7 91.92 7.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 72.4 110.919 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.515 HD13 ' O ' ' A' ' 28' ' ' HIS . 6.9 mp -81.92 -3.49 54.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 74.54 110.942 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -86.21 -56.13 3.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 64.21 110.931 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.95 -9.43 51.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 41.4 110.86 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.834 HG13 ' HB2' ' A' ' 16' ' ' LEU . 21.1 t 69.89 48.72 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 71.44 111.103 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -148.1 122.85 9.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 73.31 110.899 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.479 HD11 ' HG3' ' A' ' 46' ' ' MET . 3.3 mp -83.7 100.34 10.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 71.22 110.902 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 m -96.22 175.77 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 72.4 111.11 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.442 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 2.3 pt-20 -109.44 113.44 26.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.483 . . . . 73.52 110.932 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.486 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -166.72 166.23 15.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 73.41 110.843 -179.717 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.27 117.39 25.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.095 -0.502 . . . . 71.22 110.803 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.66 162.82 40.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 62.33 110.832 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.01 90.8 2.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 64.14 111.078 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.458 ' HB1' ' O ' ' A' ' 29' ' ' VAL . . . -91.42 159.48 15.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 60.25 111.123 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.58 -25.82 68.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 63.55 110.93 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.761 ' HB3' ' CD1' ' A' ' 30' ' ' TYR . . . -139.0 124.35 19.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 60.23 111.141 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.594 ' C ' HD13 ' A' ' 64' ' ' LEU . 37.8 m -112.8 123.68 50.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 73.24 111.123 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.594 HD13 ' C ' ' A' ' 63' ' ' THR . 0.3 OUTLIER -114.06 104.58 12.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 42.2 110.91 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.753 HG23 ' CB ' ' A' ' 33' ' ' ARG . 1.8 m -99.22 124.54 44.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.257 -0.429 . . . . 74.44 111.174 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.621 ' HG2' HG21 ' A' ' 70' ' ' ILE . 2.0 mtp -153.47 141.37 20.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 74.32 110.868 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.61 157.09 38.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 74.44 110.862 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.62 -56.66 6.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 75.34 110.816 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.458 ' O ' ' CE2' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -49.87 -33.41 16.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 74.02 110.863 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.621 HG21 ' HG2' ' A' ' 66' ' ' MET . 13.1 mm -83.72 -22.24 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 73.31 111.124 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.449 ' SD ' HG11 ' A' ' 8' ' ' VAL . 29.5 tpp -61.02 -53.04 62.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 75.0 110.902 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.503 ' C ' ' CD1' ' A' ' 72' ' ' PHE . 3.0 p90 -68.07 -29.34 68.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 63.32 110.823 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.67 -60.31 2.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 72.11 111.133 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.481 HG21 ' HE1' ' A' ' 66' ' ' MET . 7.1 mm -59.47 -47.32 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.389 . . . . 62.02 111.128 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -53.1 -33.85 45.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 54.01 112.433 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 69.2 p -99.25 4.34 46.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 74.33 111.131 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.39 44.06 98.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.741 . . . . 72.34 112.515 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.32 -42.4 9.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 51.42 111.098 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.6 mt -107.32 146.55 33.48 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.625 0.726 . . . . 75.14 110.884 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 114.01 3.57 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.271 . . . . 72.45 112.309 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.473 ' HB1' ' HE1' ' A' ' 85' ' ' MET . . . -57.19 -31.7 65.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 35.22 111.051 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -71.1 -53.05 15.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 64.02 110.927 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.61 -44.91 95.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 73.2 110.885 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.04 -51.6 51.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 63.32 111.09 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.473 ' HE1' ' HB1' ' A' ' 81' ' ' ALA . 6.2 mtt -75.85 -26.84 57.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 72.33 110.863 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.38 -32.63 70.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 44.2 111.142 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -90.16 27.79 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 63.45 110.91 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 46.85 29.47 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.909 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.94 5.45 51.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 64.21 110.868 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -160.14 150.54 18.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 63.1 110.836 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -121.34 107.95 13.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 65.45 110.955 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.9 p -112.85 137.47 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 74.54 111.129 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -130.55 112.26 13.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 71.33 110.871 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.1 167.45 26.77 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 62.44 112.489 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.463 ' HB3' HD23 ' A' ' 98' ' ' LEU . 4.3 tp60 -58.22 125.15 21.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.877 0.37 . . . . 74.11 110.905 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 67.0 t -42.22 -49.11 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 73.33 111.099 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.557 ' O ' HD23 ' A' ' 101' ' ' LEU . 3.9 mt-10 -61.16 -47.21 87.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 74.25 110.94 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.47 HD12 ' HE1' ' A' ' 30' ' ' TYR . 1.4 mm? -47.92 -54.25 13.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 75.13 110.921 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.477 HG22 HD11 ' A' ' 64' ' ' LEU . 33.2 pt -68.73 -25.82 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 70.21 111.098 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -76.16 -16.31 59.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.892 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 97' ' ' GLU . 3.4 mm? -75.72 -31.76 59.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 65.23 110.925 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.5 mp -86.19 -8.61 57.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.32 110.98 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.644 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 27.1 mt-10 -63.64 -51.35 66.77 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.695 0.76 . . . . 63.23 110.934 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.644 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.4 Cg_endo -69.79 -10.1 27.7 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.714 2.276 . . . . 73.13 112.34 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -95.59 -17.23 21.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.862 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' A' ' 103' ' ' GLU . 24.7 mt -56.0 -44.83 79.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 75.54 111.095 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.65 -41.88 91.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 64.22 111.112 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 64.31 110.891 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.798 0.332 . . . . 74.23 110.949 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.466 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 0.9 OUTLIER -44.99 -28.24 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 54.53 110.911 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -54.24 -43.47 70.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 71.01 110.91 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -55.01 -37.2 66.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 65.44 110.852 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.889 HG21 ' HA ' ' A' ' 72' ' ' PHE . 32.5 t -53.81 -61.17 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 74.3 111.107 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.4 ' CD1' ' HE3' ' A' ' 71' ' ' MET . 3.2 m-85 -49.42 -43.34 44.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 72.03 110.903 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.84 92.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 71.4 111.077 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -54.31 -48.55 71.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 75.32 110.876 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.5 mt -53.78 -50.89 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 74.53 111.148 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.74 -52.71 63.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 65.53 111.08 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -29.52 58.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 74.23 110.803 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -34.69 67.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.29 -0.414 . . . . 74.55 110.886 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.421 ' HB2' HG12 ' A' ' 51' ' ' VAL . 7.1 mt -63.14 -28.62 70.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 71.15 110.908 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -57.18 -24.0 51.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 73.03 110.882 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.51 -25.43 57.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 62.03 110.917 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.416 HD12 ' HB3' ' A' ' 16' ' ' LEU . 31.0 mt -49.47 105.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.515 . . . . 72.51 111.147 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.72 144.56 28.06 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.603 0.716 . . . . 72.22 110.873 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -16.11 37.37 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.725 2.284 . . . . 73.52 112.357 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.15 -4.91 41.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 74.4 111.134 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.66 104.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 71.22 110.853 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.2 mmm-85 -111.23 176.82 4.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 73.04 110.841 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -119.83 -79.88 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 73.4 110.945 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.67 HG21 HD23 ' A' ' 98' ' ' LEU . 6.8 p -141.95 114.19 3.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 62.44 111.123 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.08 125.18 50.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 64.43 110.891 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.61 179.05 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 70.02 110.894 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.9 t -94.45 127.31 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 54.23 111.143 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.588 ' OH ' HD22 ' A' ' 98' ' ' LEU . 23.0 m-85 -117.78 172.53 7.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 71.04 110.961 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -137.77 133.86 34.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 74.42 110.928 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.41 115.68 19.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 73.13 110.911 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.406 ' HB2' HG23 ' A' ' 65' ' ' THR . 0.0 OUTLIER -94.9 133.36 38.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 75.14 110.89 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.7 mm -115.34 135.84 54.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 73.2 111.16 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.6 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 73.35 111.139 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.842 0.353 . . . . 63.31 111.174 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.7 p -86.97 -34.99 8.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 44.34 111.135 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.71 149.54 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 64.32 110.877 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -86.68 162.12 18.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 72.11 110.867 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.488 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.7 OUTLIER -138.25 149.92 46.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.83 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 56' ' ' SER . 28.3 t -124.62 141.06 45.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 60.54 111.113 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.408 ' SD ' HD21 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -100.29 101.55 12.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 72.04 110.908 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.37 80.49 7.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 72.4 110.933 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mp -74.33 -14.3 60.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 74.54 110.89 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -81.72 -51.6 8.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 64.21 110.872 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -85.66 -5.86 59.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 41.4 110.878 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.421 HG12 ' HB2' ' A' ' 16' ' ' LEU . 3.5 t 69.25 46.68 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 71.44 111.128 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -147.91 171.19 16.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 73.31 110.881 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.413 ' CD1' HD11 ' A' ' 16' ' ' LEU . 3.6 mp -131.18 100.74 5.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 71.22 110.891 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -99.43 172.1 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 72.4 111.115 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.488 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.1 pp20? -104.63 110.85 23.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 73.52 110.897 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.702 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -167.07 166.74 15.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 73.41 110.91 -179.793 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.2 117.88 23.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 71.22 110.883 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.52 163.02 38.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 62.33 110.875 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.34 92.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 64.14 111.103 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.49 149.73 20.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 60.25 111.088 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.19 -22.21 66.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 63.55 110.928 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.56 123.79 19.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 60.23 111.068 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.2 m -101.3 125.66 47.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 73.24 111.158 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.542 ' HA ' HG12 ' A' ' 92' ' ' VAL . 1.1 mt -121.01 104.99 10.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 42.2 110.941 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.406 HG23 ' HB2' ' A' ' 33' ' ' ARG . 0.9 OUTLIER -101.89 126.83 48.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 74.44 111.138 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.612 ' HG2' HG21 ' A' ' 70' ' ' ILE . 4.9 mtt -154.13 141.57 19.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 74.32 110.903 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -74.18 154.88 38.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.908 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.96 -55.29 15.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 75.34 110.875 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.403 ' HA ' ' CE2' ' A' ' 72' ' ' PHE . 4.2 m-20 -51.4 -28.95 14.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 74.02 110.826 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.612 HG21 ' HG2' ' A' ' 66' ' ' MET . 14.7 mm -83.45 -22.83 8.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 73.31 111.205 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.473 ' CG ' ' N ' ' A' ' 72' ' ' PHE . 1.2 ptt? -61.75 -46.47 89.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 75.0 110.915 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.889 ' HA ' HG21 ' A' ' 8' ' ' VAL . 2.9 p90 -76.95 -28.55 55.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 63.32 110.917 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.95 -59.44 3.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 72.11 111.121 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 53.8 mt -75.62 -32.86 25.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 62.02 111.112 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.85 -41.42 44.23 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.761 -0.733 . . . . 54.01 112.493 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.732 HG22 ' O ' ' A' ' 72' ' ' PHE . 6.2 t -98.5 12.34 35.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 74.33 111.164 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 58.0 30.03 63.0 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.688 -0.768 . . . . 72.34 112.489 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.02 -40.91 74.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.76 0.314 . . . . 51.42 111.051 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.2 mt -121.38 157.83 55.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.613 0.72 . . . . 75.14 110.912 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 117.44 5.08 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.681 2.254 . . . . 72.45 112.343 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.524 ' O ' ' HE3' ' A' ' 85' ' ' MET . . . -59.56 -38.44 81.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 35.22 111.109 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -62.48 -50.53 71.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 64.02 110.905 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.34 -45.09 95.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 73.2 110.896 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.92 -50.42 57.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.493 . . . . 63.32 111.144 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.524 ' HE3' ' O ' ' A' ' 81' ' ' ALA . 5.9 mtt -76.11 -26.86 56.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.931 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.96 -31.54 71.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 44.2 111.121 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -88.83 28.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 63.45 110.917 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 47.61 27.83 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 74.43 110.866 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.09 3.38 49.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 64.21 110.932 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.401 ' HE1' ' HG3' ' A' ' 85' ' ' MET . 1.1 mpp? -158.76 152.34 23.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 63.1 110.865 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -125.29 108.13 11.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 65.45 110.899 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.542 HG12 ' HA ' ' A' ' 64' ' ' LEU . 6.2 m -121.25 144.32 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 74.54 111.187 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -133.6 112.47 11.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 71.33 110.826 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.61 167.98 28.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.794 -0.717 . . . . 62.44 112.502 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.462 ' HB2' HD12 ' A' ' 98' ' ' LEU . 1.8 tp60 -55.02 115.34 2.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.371 . . . . 74.11 110.914 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.7 t -43.21 -44.42 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 73.33 111.08 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.556 ' O ' HD23 ' A' ' 101' ' ' LEU . 3.8 mt-10 -56.67 -50.1 73.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 74.25 110.891 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.67 HD23 HG21 ' A' ' 26' ' ' VAL . 70.8 mt -48.21 -54.1 14.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 75.13 110.927 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.506 HG22 HD21 ' A' ' 64' ' ' LEU . 34.6 pt -70.71 -24.21 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 70.21 111.096 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -77.33 -15.05 59.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 72.33 110.873 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 97' ' ' GLU . 3.0 mm? -75.15 -32.52 61.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 65.23 110.924 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.6 mp -87.13 -7.71 57.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 74.32 110.886 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.644 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 12.7 mt-10 -63.52 -52.11 62.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.685 0.755 . . . . 63.23 110.948 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.644 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 54.6 Cg_endo -69.67 -8.48 23.71 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.763 2.309 . . . . 73.13 112.329 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -97.44 -16.6 20.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 74.43 110.965 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 103' ' ' GLU . 27.1 mt -55.67 -41.03 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 75.54 111.15 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.08 -40.13 82.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 64.22 111.121 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 64.31 110.833 -179.732 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.789 0.328 . . . . 74.23 110.91 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.403 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 4.3 m -45.76 -27.03 0.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 54.53 110.894 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -53.71 -47.76 70.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 71.01 110.845 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.26 -38.12 57.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 65.44 110.88 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.572 HG21 ' C ' ' A' ' 71' ' ' MET . 77.6 t -55.05 -58.22 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 74.3 111.221 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -51.57 -43.28 62.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.504 . . . . 72.03 110.881 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.66 -44.19 87.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 71.4 111.133 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -58.09 -51.41 69.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 75.32 110.897 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.5 mt -54.75 -54.14 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 74.53 111.117 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.864 ' HA ' HD23 ' A' ' 16' ' ' LEU . . . -57.1 -55.52 33.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 65.53 111.173 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -57.51 -30.96 65.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 74.23 110.855 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -37.32 53.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 74.55 110.801 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.864 HD23 ' HA ' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -69.98 -20.61 63.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 71.15 110.886 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.553 ' HG2' HG12 ' A' ' 51' ' ' VAL . 34.6 mt-10 -64.93 -13.93 58.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 73.03 110.907 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.24 -17.4 60.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 62.03 110.859 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.568 HD12 HD12 ' A' ' 16' ' ' LEU . 44.9 mt -46.15 137.27 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 72.51 111.142 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.3 143.8 31.06 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.612 0.72 . . . . 72.22 110.879 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -7.64 21.57 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.716 2.278 . . . . 73.52 112.318 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.69 -4.3 58.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 74.4 111.093 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.69 107.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 71.22 110.857 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.409 ' NE ' HG21 ' A' ' 19' ' ' ILE . 43.6 mmm-85 -102.13 176.45 5.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 73.04 110.86 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.522 ' HG3' HD22 ' A' ' 101' ' ' LEU . 2.6 tp60 -110.07 -48.51 3.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 73.4 110.923 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.477 ' HB ' ' O ' ' A' ' 25' ' ' GLN . 7.8 p 175.76 127.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 62.44 111.177 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -99.34 123.63 43.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 64.43 110.904 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.09 179.34 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 70.02 110.839 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.3 t -103.93 132.83 49.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 54.23 111.122 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.41 ' HB2' ' HB2' ' A' ' 46' ' ' MET . 51.7 m-85 -116.98 169.25 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 71.04 110.936 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -138.38 132.23 31.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 74.42 110.869 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' TRP . 0.3 OUTLIER -127.86 115.3 18.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.905 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.666 ' HB3' HG23 ' A' ' 65' ' ' THR . 0.0 OUTLIER -96.75 133.69 40.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 75.14 110.852 -179.868 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.1 mm -115.34 112.52 40.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 73.2 111.187 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.614 HG22 ' HA ' ' A' ' 40' ' ' VAL . 16.6 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 73.35 111.148 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.614 ' HA ' HG22 ' A' ' 35' ' ' THR . 39.3 t . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.969 0.414 . . . . 63.31 111.056 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.8 p -86.35 -35.61 9.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.134 -0.485 . . . . 44.34 111.19 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.46 150.23 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 64.32 110.878 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -90.68 165.49 13.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 72.11 110.889 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.489 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.8 OUTLIER -140.77 142.94 34.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.188 -0.46 . . . . 73.33 110.961 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 56' ' ' SER . 71.1 t -124.36 141.56 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 60.54 111.127 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.481 ' SD ' HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -101.93 100.08 10.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 72.04 110.871 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.34 85.12 6.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 72.4 110.909 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.3 mp -75.97 -7.95 55.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 74.54 110.894 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -84.66 -55.92 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 64.21 110.904 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -83.86 -5.69 59.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 41.4 110.89 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.696 HG13 HD11 ' A' ' 16' ' ' LEU . 11.4 t 69.53 47.98 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 71.44 111.104 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -148.47 166.17 28.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 73.31 110.936 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.554 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -124.64 100.49 6.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 71.22 110.912 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 m -97.58 176.91 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 72.4 111.112 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.489 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.5 pt-20 -109.96 114.23 27.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 73.52 110.866 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.569 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -167.52 167.38 13.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 73.41 110.828 -179.772 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -125.59 117.49 23.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 71.22 110.896 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.32 163.13 39.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 62.33 110.826 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.77 92.4 1.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 64.14 111.11 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.26 159.15 15.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 60.25 111.064 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -23.45 67.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 63.55 110.914 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.1 123.56 18.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 60.23 111.102 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 74.9 m -102.09 126.2 48.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 73.24 111.204 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.27 105.03 9.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 42.2 110.901 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.666 HG23 ' HB3' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -99.87 127.4 46.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 74.44 111.122 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -153.83 141.5 19.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.865 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -76.95 155.7 32.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 74.44 110.85 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.16 -53.13 17.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 75.34 110.812 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.424 ' HA ' ' CE2' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -50.57 -34.19 24.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 74.02 110.801 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.402 HD13 ' HA ' ' A' ' 70' ' ' ILE . 15.3 mm -77.95 -22.63 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 73.31 111.092 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.572 ' C ' HG21 ' A' ' 8' ' ' VAL . 3.1 tpp -63.26 -51.13 67.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 75.0 110.886 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.495 ' C ' ' CD1' ' A' ' 72' ' ' PHE . 2.6 p90 -71.63 -29.18 64.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 63.32 110.878 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.36 -59.95 2.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 72.11 111.04 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.1 mt -70.61 -43.38 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 62.02 111.182 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -53.18 -37.99 55.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.747 . . . . 54.01 112.528 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.4 p -93.39 5.86 50.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.822 0.344 . . . . 74.33 111.16 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.49 28.09 64.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 72.34 112.507 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.22 -39.91 65.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 51.42 111.094 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 60.6 mt -120.85 153.53 57.19 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.584 0.707 . . . . 75.14 110.922 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 125.85 12.61 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.735 2.29 . . . . 72.45 112.295 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.536 ' HB1' ' HE1' ' A' ' 85' ' ' MET . . . -63.77 -28.95 70.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 35.22 111.103 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -56.16 6.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 64.02 110.888 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.62 -44.35 96.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 73.2 110.875 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.81 -52.01 45.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 63.32 111.129 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.536 ' HE1' ' HB1' ' A' ' 81' ' ' ALA . 7.6 mtm -75.79 -26.29 57.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 72.33 110.881 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.35 -33.32 71.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 44.2 111.083 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -85.92 28.0 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 63.45 110.935 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 t70 47.02 28.38 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 74.43 110.82 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -92.25 2.23 56.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 64.21 110.91 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.8 mtm -150.24 146.34 26.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 63.1 110.873 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -122.11 108.55 13.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 65.45 110.83 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.7 p -123.04 141.18 44.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 74.54 111.098 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -132.5 112.81 12.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 71.33 110.811 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.04 168.18 28.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.805 -0.712 . . . . 62.44 112.544 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -54.64 117.78 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 74.11 110.878 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 84.3 t -43.32 -48.47 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 73.33 111.146 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -51.0 69.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 74.25 110.912 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 40.1 mt -48.34 -54.16 14.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 75.13 110.928 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 36.2 pt -70.44 -22.91 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 70.21 111.047 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -78.23 -14.48 59.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 72.33 110.953 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.522 HD22 ' HG3' ' A' ' 25' ' ' GLN . 40.7 mt -75.05 -36.33 61.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 65.23 110.909 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.1 mp -86.55 -4.98 59.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 74.32 110.92 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.643 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 8.2 mt-10 -64.64 -52.52 51.09 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.65 0.738 . . . . 63.23 110.823 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.643 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.8 Cg_endo -69.78 -7.66 21.63 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.687 2.258 . . . . 73.13 112.331 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -97.72 -17.19 19.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 74.43 110.879 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' A' ' 103' ' ' GLU . 27.5 mt -50.98 -38.85 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 75.54 111.139 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.65 -39.59 93.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 64.22 111.08 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 64.31 110.897 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.738 0.304 . . . . 74.23 110.891 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.4 p -45.58 -29.5 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 54.53 110.861 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -54.08 -50.55 66.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.073 -0.512 . . . . 71.01 110.847 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -54.79 -40.34 69.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 65.44 110.852 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.565 HG21 ' C ' ' A' ' 71' ' ' MET . 48.1 t -56.71 -58.08 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 74.3 111.127 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -48.89 -42.41 36.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 72.03 110.875 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.9 -47.82 83.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 71.4 111.154 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 6.7 mmpt? -56.14 -49.94 72.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 75.32 110.854 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.437 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 57.7 mt -54.28 -47.53 68.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 74.53 111.128 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.428 ' HA ' ' HG ' ' A' ' 16' ' ' LEU . . . -66.41 -53.57 34.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 65.53 111.04 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -54.32 -26.18 28.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.279 -0.419 . . . . 74.23 110.88 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -32.88 59.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 74.55 110.92 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.476 ' HB3' HD12 ' A' ' 19' ' ' ILE . 8.3 mt -64.67 -28.72 69.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 71.15 110.909 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -55.46 -23.01 23.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 73.03 110.893 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.4 -28.56 52.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 62.03 110.912 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.476 HD12 ' HB3' ' A' ' 16' ' ' LEU . 40.6 mt -50.64 104.82 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 72.51 111.115 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.63 151.54 40.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.529 0.681 . . . . 72.22 110.949 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -29.16 23.95 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.709 2.273 . . . . 73.52 112.279 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.84 -4.03 35.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 74.4 111.049 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -164.19 104.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.324 -0.398 . . . . 71.22 110.916 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.5 mmm-85 -111.03 -169.54 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 73.04 110.904 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.77 ' O ' HG12 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -163.93 83.47 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 73.4 110.891 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.77 HG12 ' O ' ' A' ' 25' ' ' GLN . 1.0 OUTLIER 52.25 137.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 62.44 111.172 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.68 127.04 14.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 64.43 110.933 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.608 ' O ' HD13 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -161.21 176.81 10.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 70.02 110.867 -179.895 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.4 t -86.86 124.15 40.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 54.23 111.167 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.432 ' CD2' HD11 ' A' ' 48' ' ' LEU . 12.4 m-85 -109.79 171.11 7.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 71.04 110.883 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.611 ' HB2' ' HB3' ' A' ' 60' ' ' ALA . 0.2 OUTLIER -131.45 133.3 45.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.115 -0.493 . . . . 74.42 110.892 179.902 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.4 116.08 17.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 73.13 110.877 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.513 ' CB ' HG23 ' A' ' 65' ' ' THR . 1.1 mtt180 -104.73 136.09 44.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 75.14 110.902 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.597 ' O ' HG22 ' A' ' 41' ' ' VAL . 20.6 mm -111.43 90.38 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 73.2 111.124 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.689 HG22 ' HA ' ' A' ' 40' ' ' VAL . 30.1 p . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 73.35 111.108 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.689 ' HA ' HG22 ' A' ' 35' ' ' THR . 9.5 p . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.798 0.332 . . . . 63.31 111.186 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 34' ' ' ILE . 20.6 m -125.19 -20.13 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 44.34 111.176 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.99 156.56 22.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 64.32 110.87 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -108.0 157.74 17.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 72.11 110.862 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.461 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -144.62 142.13 29.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 73.33 110.984 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 56' ' ' SER . 30.0 t -129.66 141.57 46.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 60.54 111.111 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.408 ' SD ' HD21 ' A' ' 53' ' ' LEU . 1.7 tpp -101.82 109.71 21.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 72.04 110.893 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.17 86.89 7.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 72.4 110.904 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.608 HD13 ' O ' ' A' ' 28' ' ' HIS . 2.7 mp -76.47 -9.35 58.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 74.54 110.889 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -83.15 -54.03 5.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 64.21 110.9 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.43 -5.79 59.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 41.4 110.857 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.1 t 67.46 44.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 71.44 111.177 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -148.67 166.94 26.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 73.31 110.886 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.408 HD21 ' SD ' ' A' ' 46' ' ' MET . 4.2 mp -116.9 139.05 51.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 71.22 110.94 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.2 m -137.06 163.3 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 72.4 111.102 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.461 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 0.6 OUTLIER -98.12 106.89 19.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 73.52 110.928 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.809 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -166.97 166.3 15.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 73.41 110.873 -179.779 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.23 118.34 23.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 71.22 110.817 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.504 ' OD2' HG21 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -147.73 163.21 37.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 62.33 110.893 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.67 92.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 64.14 111.097 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.611 ' HB3' ' HB2' ' A' ' 31' ' ' LYS . . . -94.33 155.96 16.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 60.25 111.149 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -63.88 -17.06 62.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 63.55 110.927 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.558 ' HB2' HD13 ' A' ' 98' ' ' LEU . . . -146.51 124.53 12.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 60.23 111.129 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.463 HG23 ' HE2' ' A' ' 31' ' ' LYS . 44.6 m -100.23 128.17 46.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 73.24 111.14 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.666 ' HA ' HG12 ' A' ' 92' ' ' VAL . 0.8 OUTLIER -125.44 104.88 8.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 42.2 110.841 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.513 HG23 ' CB ' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -98.42 131.28 44.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 74.44 111.195 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.715 ' HG2' HG21 ' A' ' 70' ' ' ILE . 6.3 mtt -158.01 159.53 36.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 74.32 110.833 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.409 ' O ' ' HB ' ' A' ' 70' ' ' ILE . 50.0 mt-10 -92.19 158.43 16.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 74.44 110.91 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.07 -56.32 15.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.848 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.9 -36.83 63.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 74.02 110.864 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.715 HG21 ' HG2' ' A' ' 66' ' ' MET . 13.4 mm -61.78 -43.32 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 73.31 111.146 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.565 ' C ' HG21 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -50.94 -39.24 54.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 75.0 110.819 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -70.06 -31.52 69.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 63.32 110.828 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.36 -59.33 2.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 72.11 111.084 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 81.5 mt -70.31 -46.15 72.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.271 -0.422 . . . . 62.02 111.097 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.53 -37.22 32.71 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 54.01 112.508 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 59.9 p -90.36 -13.05 35.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.828 0.347 . . . . 74.33 111.099 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.86 27.24 54.15 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.673 -0.775 . . . . 72.34 112.516 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.67 -40.08 66.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.783 0.325 . . . . 51.42 111.086 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.8 mt -120.69 151.76 54.79 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.592 0.71 . . . . 75.14 110.904 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 129.28 17.37 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.631 2.221 . . . . 72.45 112.358 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.4 ' HB1' ' HE3' ' A' ' 85' ' ' MET . . . -65.61 -28.52 69.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 35.22 111.104 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.18 -56.87 5.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 64.02 110.887 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.54 -44.23 96.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 73.2 110.9 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.03 -51.04 57.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 63.32 111.099 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.4 ' HE3' ' HB1' ' A' ' 81' ' ' ALA . 3.1 mtt -76.22 -26.49 56.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 72.33 110.872 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.08 -32.84 71.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 44.2 111.145 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -89.9 28.3 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 63.45 110.902 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.1 t0 47.44 27.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.886 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.07 3.03 44.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 64.21 110.88 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.06 149.16 25.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 63.1 110.917 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -119.01 108.51 14.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 65.45 110.862 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.666 HG12 ' HA ' ' A' ' 64' ' ' LEU . 3.1 m -127.37 139.63 51.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 74.54 111.114 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -131.02 112.99 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 71.33 110.869 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.61 167.74 27.73 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.692 -0.766 . . . . 62.44 112.48 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -54.7 119.25 5.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.869 0.366 . . . . 74.11 110.882 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.0 t -42.47 -38.77 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 73.33 111.088 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -63.26 -49.96 72.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 74.25 110.92 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.558 HD13 ' HB2' ' A' ' 62' ' ' ALA . 80.5 mt -48.3 -55.05 11.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.102 -0.499 . . . . 75.13 110.889 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.495 HG22 HD21 ' A' ' 64' ' ' LEU . 2.9 pp -71.04 -20.05 21.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 70.21 111.127 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.43 ' N ' HD12 ' A' ' 99' ' ' ILE . 89.7 t80 -83.52 -13.46 54.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 72.33 110.864 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.496 ' HG ' HG11 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -75.26 -37.31 61.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 65.23 110.907 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.4 mp -86.95 -3.4 59.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 74.32 110.968 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.641 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 7.7 mt-10 -63.73 -52.31 59.11 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.583 0.706 . . . . 63.23 110.869 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.641 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.0 Cg_endo -69.82 -6.63 19.08 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.654 2.236 . . . . 73.13 112.314 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -93.67 -17.23 23.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 74.43 110.829 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 103' ' ' GLU . 8.7 mt -56.02 -41.47 68.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 75.54 111.175 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.0 99.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 64.22 111.127 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.451 . . . . 64.31 110.838 -179.757 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.807 0.337 . . . . 74.23 110.97 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 p -45.04 -30.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 54.53 110.852 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -54.03 -50.95 65.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 71.01 110.904 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.57 -37.21 48.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 65.44 110.936 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.401 HG11 ' HG3' ' A' ' 71' ' ' MET . 91.6 t -61.99 -54.34 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 74.3 111.103 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -48.08 -44.91 32.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 72.03 110.893 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.66 -46.07 87.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 71.4 111.12 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -53.83 40.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 75.32 110.924 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.6 mt -55.5 -48.21 77.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 74.53 111.165 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.824 ' HA ' HD23 ' A' ' 16' ' ' LEU . . . -60.9 -55.21 35.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 65.53 111.156 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -55.72 -30.08 60.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.869 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.24 -36.56 54.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 74.55 110.861 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.824 HD23 ' HA ' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -71.64 -19.13 62.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 71.15 110.9 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 13' ' ' ALA . 35.3 mt-10 -87.03 -9.76 54.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 73.03 110.899 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.2 t -74.08 -42.98 59.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 62.03 110.819 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.67 HG22 ' HD2' ' A' ' 24' ' ' ARG . 2.0 mp -47.75 104.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 72.51 111.163 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.21 144.64 91.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 72.22 110.873 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 -11.87 31.78 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.776 2.317 . . . . 73.52 112.354 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.25 -4.83 52.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 74.4 111.132 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -173.09 104.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 71.22 110.916 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.67 ' HD2' HG22 ' A' ' 19' ' ' ILE . 39.0 mmm-85 -108.65 178.53 4.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 73.04 110.894 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -108.3 -83.06 0.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 73.4 110.973 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.1 p -131.45 118.9 41.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 62.44 111.14 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -102.86 125.93 49.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.217 -0.447 . . . . 64.43 110.893 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.73 179.19 3.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 70.02 110.856 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.577 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 71.0 t -101.31 121.74 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 54.23 111.084 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -107.29 161.58 14.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 71.04 110.891 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.496 ' HD2' HG23 ' A' ' 63' ' ' THR . 1.9 ttmt -126.78 138.46 53.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.887 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.793 ' CE2' HD13 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -136.51 120.78 17.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 73.13 110.841 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.575 ' C ' HD13 ' A' ' 34' ' ' ILE . 4.7 mtt180 -118.49 140.12 50.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 75.14 110.923 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.575 HD13 ' C ' ' A' ' 33' ' ' ARG . 7.8 mm -114.29 90.51 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 73.2 111.179 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.734 HG22 ' CA ' ' A' ' 40' ' ' VAL . 66.9 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 73.35 111.121 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.734 ' CA ' HG22 ' A' ' 35' ' ' THR . 11.9 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.894 0.378 . . . . 63.31 111.104 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 34' ' ' ILE . 5.2 m -125.58 -5.19 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 44.34 111.152 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.65 165.11 16.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 64.32 110.899 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -126.43 149.84 49.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 72.11 110.898 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.511 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -137.74 146.47 43.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.961 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 56' ' ' SER . 23.2 t -137.87 135.05 45.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 60.54 111.121 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.633 ' HG3' HD21 ' A' ' 53' ' ' LEU . 1.8 ttm -100.48 113.85 26.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 72.04 110.911 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.36 85.02 5.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 72.4 110.863 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 48' ' ' LEU . 11.7 mt -80.31 -9.38 59.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 74.54 110.901 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.51 -47.32 17.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 64.21 110.841 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.7 -3.12 46.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 41.4 110.858 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.651 ' C ' HD11 ' A' ' 16' ' ' LEU . 3.3 t 69.11 48.71 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 71.44 111.133 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -148.79 164.63 33.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 73.31 110.907 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.672 HD12 HD23 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -119.97 139.82 51.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 71.22 110.953 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.3 m -140.51 166.77 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.454 . . . . 72.4 111.153 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.511 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.8 pm0 -105.5 108.17 19.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 73.52 110.857 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.879 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -168.83 169.54 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 73.41 110.854 -179.825 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.67 115.19 17.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 71.22 110.838 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -156.74 171.95 19.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 62.33 110.87 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.3 150.3 1.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 64.14 111.083 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.577 ' HB1' ' O ' ' A' ' 29' ' ' VAL . . . -170.89 145.12 2.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 60.25 111.113 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -64.35 -14.78 58.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 63.55 110.835 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -143.27 150.98 40.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 60.23 111.095 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.496 HG23 ' HD2' ' A' ' 31' ' ' LYS . 87.8 m -140.81 136.42 32.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 73.24 111.133 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.793 HD13 ' CE2' ' A' ' 32' ' ' PHE . 1.9 mp -129.1 104.56 7.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 42.2 110.92 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.421 ' C ' ' HG3' ' A' ' 66' ' ' MET . 38.3 m -112.17 139.88 47.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 74.44 111.136 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.421 ' HG3' ' C ' ' A' ' 65' ' ' THR . 0.0 OUTLIER 177.35 -174.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 74.32 110.894 179.817 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -80.21 160.04 25.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 74.44 110.891 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.46 ' OD2' HG21 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -63.46 -44.83 93.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 75.34 110.951 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -49.84 -24.23 2.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 74.02 110.832 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 19.9 mm -70.36 -23.64 24.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.186 -0.461 . . . . 73.31 111.112 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.401 ' HG3' HG11 ' A' ' 8' ' ' VAL . 28.2 tpp -61.83 -50.74 71.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 75.0 110.927 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.486 ' C ' ' CD1' ' A' ' 72' ' ' PHE . 4.2 p90 -74.4 -28.0 60.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 63.32 110.88 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.66 -59.29 3.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 72.11 111.123 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.703 HD11 ' HE1' ' A' ' 90' ' ' MET . 62.9 mt -79.16 -39.95 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 62.02 111.17 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.25 -40.97 38.45 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 54.01 112.465 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 72.4 p -86.28 -11.71 51.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.75 0.31 . . . . 74.33 111.107 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.49 23.59 67.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.764 -0.731 . . . . 72.34 112.476 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.84 -44.2 73.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 51.42 111.089 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.1 mt -118.14 149.87 46.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.683 0.754 . . . . 75.14 110.842 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 131.08 20.46 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.634 2.222 . . . . 72.45 112.336 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.759 ' HB1' ' HE1' ' A' ' 85' ' ' MET . . . -65.41 -28.24 69.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.419 . . . . 35.22 111.045 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -71.41 -56.98 4.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 64.02 110.912 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -63.06 -46.93 85.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.309 -0.405 . . . . 73.2 110.887 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.01 -52.53 41.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 63.32 111.058 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.759 ' HE1' ' HB1' ' A' ' 81' ' ' ALA . 9.9 mtm -72.57 -26.66 61.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.424 . . . . 72.33 110.866 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.13 -23.2 63.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 44.2 111.078 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -85.83 28.99 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 63.45 110.928 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 49.02 26.86 1.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 74.43 110.909 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.08 -59.41 2.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 64.21 110.889 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.703 ' HE1' HD11 ' A' ' 74' ' ' ILE . 0.7 OUTLIER -99.83 152.75 19.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 63.1 110.844 179.892 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -124.91 109.55 13.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 65.45 110.883 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.6 p -118.6 142.4 33.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 74.54 111.111 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -133.44 112.6 11.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 71.33 110.849 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.06 167.85 27.33 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.695 -0.764 . . . . 62.44 112.445 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.54 116.55 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 74.11 110.925 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.5 t -42.09 -39.35 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 73.33 111.187 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.34 -47.97 74.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.25 110.881 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 55.0 mt -48.62 -54.52 14.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 75.13 110.945 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.539 HD12 ' N ' ' A' ' 100' ' ' PHE . 2.8 pp -72.38 -28.79 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 70.21 111.086 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.539 ' N ' HD12 ' A' ' 99' ' ' ILE . 93.9 t80 -70.52 -13.0 61.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 72.33 110.91 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.37 -35.5 58.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 65.23 110.895 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.3 mp -87.25 -6.67 58.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.883 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.618 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 8.3 mt-10 -63.12 -53.82 51.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.622 0.725 . . . . 63.23 110.87 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.618 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.9 Cg_endo -69.76 -6.95 19.82 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.648 2.232 . . . . 73.13 112.376 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -96.68 -17.79 20.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 74.43 110.896 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.611 HD12 ' HA ' ' A' ' 103' ' ' GLU . 20.4 mt -57.77 -40.91 78.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 75.54 111.108 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.17 -37.9 84.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 64.22 111.07 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 64.31 110.862 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.773 0.321 . . . . 74.23 110.895 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 p -45.02 -30.35 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 54.53 110.85 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.08 -50.62 66.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 71.01 110.866 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.21 -39.31 63.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 65.44 110.845 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.596 HG21 ' C ' ' A' ' 71' ' ' MET . 73.8 t -58.92 -58.67 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.3 111.121 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -48.83 -45.12 40.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 72.03 110.873 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.39 -43.59 98.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 71.4 111.114 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -58.49 -50.53 73.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 75.32 110.941 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.3 mt -55.84 -56.68 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.53 111.091 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.91 -52.71 48.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 65.53 111.129 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -54.76 -26.71 36.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.883 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.26 -33.48 59.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 74.55 110.93 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.643 ' HB3' HD12 ' A' ' 19' ' ' ILE . 11.0 mt -67.03 -21.84 65.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 71.15 110.928 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -53.96 -25.31 20.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 73.03 110.936 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.06 -23.85 41.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 62.03 110.845 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.823 HG23 ' CZ ' ' A' ' 24' ' ' ARG . 88.6 mt -49.61 104.4 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 72.51 111.108 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.01 143.25 27.59 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.561 0.696 . . . . 72.22 110.858 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -14.9 36.59 Favored 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.728 2.285 . . . . 73.52 112.368 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.39 -7.08 51.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 74.4 111.13 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -173.44 103.98 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 71.22 110.88 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.823 ' CZ ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -122.73 175.42 6.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 73.04 110.848 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.477 ' HG2' HD22 ' A' ' 101' ' ' LEU . 1.0 OUTLIER -124.48 -66.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 73.4 110.893 -179.91 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 83.9 t -143.99 112.49 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 62.44 111.159 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -109.45 125.65 52.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 64.43 110.883 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.638 ' O ' HD13 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -170.11 178.94 3.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 70.02 110.908 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.6 t -91.75 127.61 43.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 54.23 111.072 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.415 ' OH ' HD22 ' A' ' 98' ' ' LEU . 6.6 m-85 -111.14 170.9 7.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.478 . . . . 71.04 110.928 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.576 ' HB2' ' HB3' ' A' ' 60' ' ' ALA . 7.4 ttpt -134.86 132.28 38.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 74.42 110.895 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.453 ' O ' ' N ' ' A' ' 44' ' ' TRP . 0.1 OUTLIER -128.88 114.49 16.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 73.13 110.892 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.639 ' HB3' HG23 ' A' ' 65' ' ' THR . 1.5 mtt180 -97.98 136.68 37.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 75.14 110.838 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.9 mm -115.47 106.73 21.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 73.2 111.141 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.641 HG22 ' HA ' ' A' ' 40' ' ' VAL . 6.0 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 73.35 111.131 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.641 ' HA ' HG22 ' A' ' 35' ' ' THR . 7.6 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.842 0.354 . . . . 63.31 111.133 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.3 p -94.45 -31.94 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 44.34 111.103 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.41 151.12 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 64.32 110.921 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -95.08 158.98 15.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 72.11 110.875 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' PHE . 0.6 OUTLIER -138.15 149.86 46.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 73.33 110.923 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 56' ' ' SER . 27.9 t -130.36 141.2 46.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.413 . . . . 60.54 111.147 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.404 ' HB3' ' HB2' ' A' ' 30' ' ' TYR . 0.8 OUTLIER -104.93 103.73 13.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 72.04 110.881 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -83.04 89.54 6.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 72.4 110.825 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.638 HD13 ' O ' ' A' ' 28' ' ' HIS . 6.9 mp -77.33 -7.5 56.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 74.54 110.907 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -84.11 -55.75 4.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 64.21 110.886 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -84.71 -9.5 58.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 41.4 110.872 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.2 t 67.62 44.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 71.44 111.122 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -148.52 133.34 17.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 73.31 110.906 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.588 ' CD1' HD11 ' A' ' 16' ' ' LEU . 4.4 mp -84.57 137.17 33.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 71.22 110.949 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.9 m -138.13 163.83 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 72.4 111.104 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.434 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.7 pm0 -101.58 108.9 20.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 73.52 110.909 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.827 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -166.83 166.26 15.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 73.41 110.789 -179.76 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.89 117.7 23.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 71.22 110.899 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.39 164.22 36.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 62.33 110.892 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.54 91.5 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 64.14 111.128 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.576 ' HB3' ' HB2' ' A' ' 31' ' ' LYS . . . -94.39 151.3 19.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 60.25 111.133 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.15 -18.38 64.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 63.55 110.912 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.93 124.34 13.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.153 -0.476 . . . . 60.23 111.165 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.543 HG23 ' HE2' ' A' ' 31' ' ' LYS . 31.9 m -103.34 128.18 50.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 73.24 111.129 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.666 HD21 HG22 ' A' ' 99' ' ' ILE . 1.2 mp -124.51 104.81 8.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 42.2 110.945 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.639 HG23 ' HB3' ' A' ' 33' ' ' ARG . 1.3 m -96.64 130.22 43.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 74.44 111.087 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 31.3 mtt -157.88 158.4 35.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.32 110.869 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -93.21 161.85 14.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 74.44 110.84 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.5 -58.82 4.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 75.34 110.899 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.11 -42.58 60.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.217 -0.447 . . . . 74.02 110.863 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 70' ' ' ILE . 18.6 mm -58.01 -39.57 72.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 73.31 111.115 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.596 ' C ' HG21 ' A' ' 8' ' ' VAL . 10.8 mmt -58.95 -44.23 91.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 75.0 110.807 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -73.06 -30.47 63.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 63.32 110.83 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.19 -59.5 2.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 72.11 111.098 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.8 mt -71.49 -43.77 71.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 62.02 111.165 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -51.42 -35.3 35.77 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 54.01 112.501 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 81.3 p -89.3 -15.09 34.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.822 0.344 . . . . 74.33 111.084 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.34 25.51 56.94 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 72.34 112.525 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.34 -41.09 49.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 51.42 111.136 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.3 mt -118.85 152.79 52.08 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.637 0.732 . . . . 75.14 110.863 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 123.41 10.09 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.675 2.25 . . . . 72.45 112.329 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.527 ' HB1' ' HE1' ' A' ' 85' ' ' MET . . . -63.32 -31.56 72.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 35.22 111.16 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp -67.86 -54.53 18.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 64.02 110.901 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -59.11 -44.49 91.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 73.2 110.861 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.9 -50.47 57.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 63.32 111.06 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.527 ' HE1' ' HB1' ' A' ' 81' ' ' ALA . 5.9 mtt -76.79 -26.6 54.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 72.33 110.946 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.46 -31.43 70.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 44.2 111.095 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -89.01 28.34 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 63.45 110.92 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 48.06 27.65 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 74.43 110.866 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -87.49 2.24 51.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 64.21 110.862 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -159.29 153.07 23.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 63.1 110.914 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -122.55 108.45 13.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 65.45 110.876 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 70.3 t -119.8 140.12 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 74.54 111.117 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -133.15 113.22 12.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 71.33 110.846 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.68 167.84 27.96 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 62.44 112.534 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.473 ' HB2' HD12 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -54.47 115.27 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 74.11 110.917 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.6 t -43.03 -43.72 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 73.33 111.14 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -49.48 76.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 74.25 110.896 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.788 ' HA ' HD12 ' A' ' 101' ' ' LEU . 77.8 mt -48.4 -54.12 15.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 75.13 110.888 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.666 HG22 HD21 ' A' ' 64' ' ' LEU . 41.1 pt -69.95 -23.12 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 70.21 111.195 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -79.5 -15.78 57.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 72.33 110.868 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.788 HD12 ' HA ' ' A' ' 98' ' ' LEU . 8.6 mt -76.19 -38.68 56.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 65.23 110.88 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.5 mp -84.04 -7.08 59.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 74.32 110.935 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.626 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 8.5 mt-10 -62.47 -53.28 58.97 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.66 0.743 . . . . 63.23 110.857 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.4 Cg_endo -69.69 -7.68 21.66 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.701 2.267 . . . . 73.13 112.293 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -98.85 -17.02 18.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.286 -0.416 . . . . 74.43 110.923 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 49.0 mt -49.31 -41.82 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 75.54 111.094 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.6 -40.68 84.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 64.22 111.115 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 64.31 110.851 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.847 0.356 . . . . 74.23 110.902 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.421 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -44.73 -32.05 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 54.53 110.817 -179.876 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -54.27 -49.6 69.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 71.01 110.924 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -52.03 -37.3 53.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 65.44 110.875 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.714 HG11 ' HG3' ' A' ' 71' ' ' MET . 95.7 t -52.41 -60.11 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 74.3 111.172 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -49.64 -44.26 47.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 72.03 110.903 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.31 -42.0 98.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 71.4 111.11 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -60.24 -53.71 54.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 75.32 110.907 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.7 mt -54.45 -54.99 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 74.53 111.182 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.72 -52.26 63.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 65.53 111.066 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -54.12 -30.23 48.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 74.23 110.899 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.28 -33.89 65.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 74.55 110.931 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.573 ' HB3' HD12 ' A' ' 19' ' ' ILE . 10.4 mt -67.47 -20.79 65.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 71.15 110.863 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -56.88 -24.03 48.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 73.03 110.868 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 m -81.16 -18.26 46.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 62.03 110.877 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.777 HG23 ' CZ ' ' A' ' 24' ' ' ARG . 89.5 mt -50.31 104.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 72.51 111.15 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.09 143.93 29.75 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.61 0.719 . . . . 72.22 110.861 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -14.39 36.16 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.75 2.3 . . . . 73.52 112.311 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.77 -7.29 52.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 74.4 111.101 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -174.52 104.41 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 71.22 110.83 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.777 ' CZ ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -124.57 177.12 6.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 73.04 110.777 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.42 ' OE1' HD22 ' A' ' 101' ' ' LEU . 43.1 mt-30 -119.28 -40.85 2.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 73.4 110.923 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 p -176.85 131.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 62.44 111.118 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -110.36 125.16 52.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 64.43 110.838 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -170.68 179.09 3.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 70.02 110.801 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.3 t -100.84 133.38 44.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.222 -0.445 . . . . 54.23 111.138 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.56 ' OH ' HD22 ' A' ' 98' ' ' LEU . 12.1 m-85 -121.36 160.51 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 71.04 110.923 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -127.28 135.36 50.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 74.42 110.966 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.85 122.49 36.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 73.13 110.83 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.693 ' HB2' HG23 ' A' ' 65' ' ' THR . 43.0 mtp180 -107.14 130.7 54.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 75.14 110.915 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.41 HG13 ' HE1' ' A' ' 71' ' ' MET . 24.5 mm -111.01 90.41 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 73.2 111.09 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.805 HG23 ' HA ' ' A' ' 40' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 73.35 111.158 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.805 ' HA ' HG23 ' A' ' 35' ' ' THR . 7.4 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.848 0.356 . . . . 63.31 111.203 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 m -125.62 -33.24 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 44.34 111.053 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.56 158.54 37.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 64.32 110.859 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.86 151.03 39.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 72.11 110.886 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.423 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -135.56 149.02 49.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 73.33 110.907 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.62 HG23 ' CG2' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -123.5 143.44 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 60.54 111.133 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.24 100.35 11.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 72.04 110.862 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.46 80.86 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 72.4 110.905 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.425 HD13 ' HD1' ' A' ' 30' ' ' TYR . 5.0 mp -72.63 -11.67 60.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 74.54 110.945 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.8 -52.82 6.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 64.21 110.962 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -84.5 -6.4 59.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 41.4 110.837 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.42 HG12 ' HB2' ' A' ' 16' ' ' LEU . 3.4 t 68.99 46.23 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 71.44 111.136 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.86 166.88 27.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 73.31 110.854 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.9 mp -124.23 104.89 9.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 71.22 110.947 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.62 ' CG2' HG23 ' A' ' 45' ' ' VAL . 3.0 m -103.45 174.57 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 72.4 111.136 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.423 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.4 pm0 -106.97 110.75 22.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 73.52 110.916 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.421 ' N ' HG22 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -169.04 165.69 11.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 73.41 110.805 -179.706 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.66 115.67 22.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.499 . . . . 71.22 110.887 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -155.53 168.06 28.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 62.33 110.898 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.43 159.23 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 64.14 111.087 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -169.01 142.37 2.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 60.25 111.126 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.56 -23.54 67.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 63.55 110.924 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -140.05 124.15 17.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 60.23 111.048 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 83.2 m -103.57 128.48 50.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 73.24 111.101 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.449 HD11 HG22 ' A' ' 99' ' ' ILE . 0.5 OUTLIER -125.31 119.0 27.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 42.2 110.879 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.693 HG23 ' HB2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -114.51 130.76 56.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 74.44 111.136 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.624 ' HG2' HG21 ' A' ' 70' ' ' ILE . 4.1 mtm -154.02 140.7 18.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 74.32 110.884 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -74.02 154.05 39.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.9 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.95 -53.65 18.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 75.34 110.904 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.4 ' O ' ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -50.65 -30.04 12.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 74.02 110.894 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.624 HG21 ' HG2' ' A' ' 66' ' ' MET . 19.1 mm -83.42 -23.13 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 73.31 111.141 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.714 ' HG3' HG11 ' A' ' 8' ' ' VAL . 2.6 ttp -60.05 -51.27 70.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 75.0 110.955 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.484 ' C ' ' CD1' ' A' ' 72' ' ' PHE . 3.3 p90 -72.17 -28.68 63.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 63.32 110.933 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.96 -59.72 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 72.11 111.105 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 57.9 mt -72.18 -40.61 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 62.02 111.17 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.55 -39.28 53.18 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.757 -0.735 . . . . 54.01 112.398 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 71.3 p -94.42 7.53 45.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 74.33 111.206 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 58.48 29.66 63.93 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.747 -0.74 . . . . 72.34 112.522 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.19 -40.31 68.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.768 0.318 . . . . 51.42 111.064 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 25.6 mt -118.62 155.57 52.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.51 0.671 . . . . 75.14 110.969 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 123.11 9.77 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.685 2.257 . . . . 72.45 112.31 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.419 ' HB1' ' HE1' ' A' ' 85' ' ' MET . . . -62.14 -32.05 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 35.22 111.102 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -69.31 -57.2 5.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 64.02 110.913 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.55 -43.58 84.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 73.2 110.921 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.475 ' HB1' ' SD ' ' A' ' 90' ' ' MET . . . -51.06 -51.12 56.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 63.32 111.094 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.419 ' HE1' ' HB1' ' A' ' 81' ' ' ALA . 5.5 mtt -75.85 -26.8 57.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 72.33 110.886 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.18 -32.07 70.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 44.2 111.119 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -90.09 27.67 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 63.45 110.853 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 46.48 29.83 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.861 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.83 10.07 36.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 64.21 110.944 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.475 ' SD ' ' HB1' ' A' ' 84' ' ' ALA . 1.6 mtm -154.39 144.6 22.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 63.1 110.868 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -119.97 108.7 14.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 65.45 110.887 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.8 p -128.58 141.13 47.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 74.54 111.171 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -131.59 113.48 13.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 71.33 110.836 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.9 167.92 28.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 62.44 112.488 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.511 ' HB2' HD12 ' A' ' 98' ' ' LEU . 2.1 tp60 -54.26 118.51 4.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.348 . . . . 74.11 110.957 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 99' ' ' ILE . 79.9 t -42.55 -42.61 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 73.33 111.155 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -62.98 -48.72 77.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 74.25 110.925 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.56 HD22 ' OH ' ' A' ' 30' ' ' TYR . 79.1 mt -48.7 -54.82 13.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 75.13 110.963 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.521 HD12 ' N ' ' A' ' 100' ' ' PHE . 2.8 pp -72.34 -27.11 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 70.21 111.191 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.521 ' N ' HD12 ' A' ' 99' ' ' ILE . 93.3 t80 -72.64 -15.11 61.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 72.33 110.862 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 98' ' ' LEU . 22.1 mt -75.72 -34.02 60.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 65.23 110.899 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.5 mp -84.64 -8.59 58.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.926 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.632 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 23.1 mt-10 -63.07 -53.11 57.73 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.677 0.751 . . . . 63.23 110.945 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.7 Cg_endo -69.74 -7.75 21.85 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 73.13 112.413 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -97.73 -17.23 19.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.874 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.498 HD12 ' HA ' ' A' ' 103' ' ' GLU . 24.2 mt -51.9 -45.58 39.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 75.54 111.13 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.74 -35.87 77.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 64.22 111.134 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 64.31 110.884 -179.837 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.816 0.341 . . . . 74.23 110.892 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.0 p -44.3 -31.25 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 54.53 110.881 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -54.08 -50.54 66.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.127 -0.488 . . . . 71.01 110.892 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.69 -39.2 61.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 65.44 110.941 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.609 HG21 ' C ' ' A' ' 71' ' ' MET . 67.9 t -56.94 -59.69 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 74.3 111.087 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -48.92 -45.4 41.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 72.03 110.874 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.13 -48.98 79.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 71.4 111.145 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.44 -50.57 64.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 75.32 110.929 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.454 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 12.6 mt -57.75 -56.36 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 74.53 111.132 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.46 -54.88 26.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 65.53 111.068 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -27.19 52.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 74.23 110.899 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.85 -35.95 57.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 74.55 110.852 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.481 HD22 HD11 ' A' ' 19' ' ' ILE . 61.3 mt -64.59 -22.62 67.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 71.15 110.905 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -54.22 -26.17 27.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 73.03 110.917 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.97 -21.15 57.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 62.03 110.92 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.81 HG23 ' CZ ' ' A' ' 24' ' ' ARG . 83.6 mt -48.58 104.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 72.51 111.186 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.66 144.14 30.0 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.551 0.691 . . . . 72.22 110.868 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.74 -11.11 30.19 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.686 2.258 . . . . 73.52 112.37 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.58 -12.61 60.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 74.4 111.058 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -172.08 117.09 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 71.22 110.902 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.81 ' CZ ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -130.01 -179.77 5.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 73.04 110.85 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -125.27 -40.28 2.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 73.4 110.959 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.521 ' O ' HG13 ' A' ' 26' ' ' VAL . 5.2 p -176.11 123.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 62.44 111.079 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -106.87 125.86 51.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.119 -0.491 . . . . 64.43 110.882 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.639 ' O ' HD13 ' A' ' 48' ' ' LEU . 21.2 p-80 -170.23 179.1 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 70.02 110.849 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.3 t -95.38 135.84 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 54.23 111.092 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.664 ' CD1' HD11 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -118.12 165.72 13.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 71.04 110.962 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.61 ' O ' HD12 ' A' ' 64' ' ' LEU . 1.8 ttmm -139.25 135.88 34.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.904 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.56 127.33 42.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.896 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.621 ' HB3' HG23 ' A' ' 65' ' ' THR . 8.6 mtt180 -106.55 139.27 41.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 75.14 110.863 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.531 HD13 ' O ' ' A' ' 33' ' ' ARG . 28.2 mm -121.13 130.16 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 73.2 111.135 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.57 HG22 ' HA ' ' A' ' 40' ' ' VAL . 6.6 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 73.35 111.09 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.57 ' HA ' HG22 ' A' ' 35' ' ' THR . 6.3 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.832 0.349 . . . . 63.31 111.157 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.0 p -87.8 -33.31 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 44.34 111.155 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.2 145.97 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 64.32 110.873 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.435 ' H ' ' ND2' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -86.73 161.72 18.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 72.11 110.922 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.404 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -143.41 150.17 38.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.883 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.653 HG13 HG22 ' A' ' 54' ' ' VAL . 1.9 p -134.14 143.15 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 60.54 111.166 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -99.12 107.62 20.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 72.04 110.864 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -83.91 86.32 7.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 72.4 110.885 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.639 HD13 ' O ' ' A' ' 28' ' ' HIS . 5.8 mp -73.42 -7.31 51.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 74.54 111.0 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -84.08 -54.72 4.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 64.21 110.882 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.11 -9.11 58.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 41.4 110.941 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.473 HG13 ' HB3' ' A' ' 16' ' ' LEU . 5.9 t 67.13 43.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 71.44 111.187 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.2 tptm -149.85 134.83 17.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 73.31 110.88 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.1 mp -84.48 137.38 33.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 71.22 110.934 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.653 HG22 HG13 ' A' ' 45' ' ' VAL . 3.0 m -137.22 166.76 24.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.24 -0.437 . . . . 72.4 111.078 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.404 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -102.43 107.43 18.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 73.52 110.897 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.54 164.18 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 73.41 110.831 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.73 116.71 27.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 71.22 110.887 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.27 157.76 43.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 62.33 110.901 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.9 92.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 64.14 111.128 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.1 149.17 21.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 60.25 111.048 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.37 -23.24 67.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.476 . . . . 63.55 110.888 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.459 ' HB3' ' CE1' ' A' ' 30' ' ' TYR . . . -140.63 124.36 17.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 60.23 111.106 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 82.6 m -103.84 129.34 51.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 73.24 111.11 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.664 HD11 ' CD1' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -127.08 112.37 15.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 42.2 110.956 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.621 HG23 ' HB3' ' A' ' 33' ' ' ARG . 1.7 m -101.27 131.57 47.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 74.44 111.147 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.633 ' HG2' HG21 ' A' ' 70' ' ' ILE . 0.3 OUTLIER -157.99 156.81 31.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.299 -0.41 . . . . 74.32 110.885 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -89.01 162.82 15.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 74.44 110.91 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.37 -58.2 5.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 75.34 110.826 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.89 -43.36 59.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 74.02 110.868 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.633 HG21 ' HG2' ' A' ' 66' ' ' MET . 14.0 mm -55.22 -47.05 78.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 73.31 111.159 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.609 ' C ' HG21 ' A' ' 8' ' ' VAL . 0.6 OUTLIER -51.49 -43.46 62.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 75.0 110.891 179.845 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -70.18 -30.84 68.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 63.32 110.899 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.73 -59.93 2.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 72.11 111.017 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 52.0 mt -69.95 -44.2 78.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 62.02 111.1 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.29 -37.78 48.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 54.01 112.5 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 43.1 p -92.67 -2.14 56.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.838 0.352 . . . . 74.33 111.137 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.79 29.63 73.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.771 -0.728 . . . . 72.34 112.492 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.42 -41.34 27.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.888 0.375 . . . . 51.42 111.073 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.7 mt -117.12 152.56 49.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.621 0.725 . . . . 75.14 110.967 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 120.92 7.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.661 2.241 . . . . 72.45 112.318 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.461 ' HB1' ' HE3' ' A' ' 85' ' ' MET . . . -60.91 -37.92 83.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 35.22 111.074 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.12 -56.9 10.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 64.02 110.897 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -44.86 82.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 73.2 110.902 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.35 -50.23 51.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 63.32 111.095 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.461 ' HE3' ' HB1' ' A' ' 81' ' ' ALA . 7.2 mtt -77.12 -26.6 53.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 72.33 110.89 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.64 -32.54 70.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 44.2 111.078 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -86.72 27.99 0.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 63.45 110.942 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 46.17 28.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.893 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -90.39 5.57 46.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 64.21 110.844 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.427 ' HG2' ' HG3' ' A' ' 66' ' ' MET . 1.1 mpp? -160.29 153.92 22.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 63.1 110.829 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -122.68 108.49 13.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 65.45 110.863 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.0 p -119.38 140.51 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 74.54 111.142 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -131.38 114.24 14.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 71.33 110.9 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.67 167.61 28.59 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.732 -0.747 . . . . 62.44 112.516 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.463 ' HB3' HD23 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -54.76 117.92 3.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 74.11 110.884 -179.871 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 67.9 t -43.65 -51.0 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 73.33 111.195 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -58.27 -49.79 75.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 74.25 110.945 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.614 HD12 ' NE2' ' A' ' 28' ' ' HIS . 1.7 mm? -48.45 -54.06 15.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 75.13 110.902 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.641 HG22 HD21 ' A' ' 64' ' ' LEU . 21.6 pt -71.29 -20.87 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 70.21 111.165 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -79.78 -13.74 59.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 72.33 110.838 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -75.87 -32.56 59.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 65.23 110.874 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.0 mp -88.39 -5.74 58.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 74.32 110.905 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.629 ' HA ' HD12 ' A' ' 106' ' ' ILE . 15.9 mt-10 -67.27 -55.68 14.87 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.624 0.726 . . . . 63.23 110.939 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.576 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.1 Cg_endo -69.81 -6.26 18.19 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.622 2.215 . . . . 73.13 112.323 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -98.46 -18.06 18.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 74.43 110.859 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 103' ' ' GLU . 12.2 mt -53.09 -27.63 13.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 75.54 111.163 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.29 -43.49 94.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 64.22 111.113 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 64.31 110.874 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.769 0.319 . . . . 74.23 110.838 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.443 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 15.0 p -44.78 -27.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 54.53 110.824 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -53.67 -47.43 70.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 71.01 110.85 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -52.74 -38.42 60.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 65.44 110.901 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.736 HG11 ' HG3' ' A' ' 71' ' ' MET . 67.4 t -50.01 -61.73 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 74.3 111.091 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -50.82 -43.02 58.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 72.03 110.861 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.88 -44.54 96.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 71.4 111.16 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -56.83 -50.12 73.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 75.32 110.93 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.1 mt -57.54 -49.19 81.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 74.53 111.125 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.49 -53.91 52.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 65.53 111.108 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -52.58 -25.34 10.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 74.23 110.933 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -77.73 -30.77 51.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 74.55 110.845 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.798 ' HB3' HD12 ' A' ' 19' ' ' ILE . 5.8 mt -71.3 -18.85 62.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 71.15 110.948 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -57.32 -20.64 29.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 73.03 110.924 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 t -91.89 -19.54 22.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 62.03 110.91 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.798 HD12 ' HB3' ' A' ' 16' ' ' LEU . 74.4 mt -51.6 104.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 72.51 111.09 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.81 143.15 28.06 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.594 0.711 . . . . 72.22 110.881 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -16.31 37.55 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 73.52 112.296 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.98 -5.59 44.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.298 -0.41 . . . . 74.4 111.171 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -177.64 104.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 71.22 110.874 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.723 ' CZ ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -117.46 -177.37 3.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 73.04 110.952 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.99 -37.04 2.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 73.4 110.927 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.647 HG11 HD13 ' A' ' 101' ' ' LEU . 8.6 p -176.82 126.36 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 62.44 111.125 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -110.97 124.68 52.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 64.43 110.917 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -170.94 175.19 4.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 70.02 110.81 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.9 t -104.0 129.91 55.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 54.23 111.095 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -122.11 145.6 48.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 71.04 110.87 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.6 ' O ' HD12 ' A' ' 64' ' ' LEU . 18.8 ttpt -106.9 143.69 34.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 74.42 110.895 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.4 125.96 33.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 73.13 110.887 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.656 ' HB2' HG23 ' A' ' 65' ' ' THR . 0.3 OUTLIER -110.61 140.08 45.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 75.14 110.885 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.504 ' O ' HG22 ' A' ' 41' ' ' VAL . 31.5 mm -116.86 90.59 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 73.2 111.136 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.78 HG22 HG22 ' A' ' 40' ' ' VAL . 25.3 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 73.35 111.139 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.78 HG22 HG22 ' A' ' 35' ' ' THR . 64.1 t . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.873 0.368 . . . . 63.31 111.13 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 34' ' ' ILE . 20.1 m -124.93 -21.37 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 44.34 111.155 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.26 152.78 17.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 64.32 110.917 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -107.43 154.4 21.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 72.11 110.845 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.482 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -144.46 150.91 38.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 73.33 110.915 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.556 HG13 HG22 ' A' ' 54' ' ' VAL . 7.2 p -141.83 140.73 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 60.54 111.098 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.8 ttm -99.31 118.63 36.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 72.04 110.886 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -96.13 89.95 5.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 72.4 110.904 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.4 mt -75.84 -1.65 26.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 74.54 110.941 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.3 mtpt -84.93 -56.01 3.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 64.21 110.894 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -84.69 -8.03 59.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 41.4 110.903 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.2 t 69.06 43.53 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 71.44 111.134 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -149.6 144.72 26.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 73.31 110.891 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.5 mp -92.06 140.36 29.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 71.22 110.862 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.556 HG22 HG13 ' A' ' 45' ' ' VAL . 3.0 m -140.72 165.1 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 72.4 111.133 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.482 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 4.6 pm0 -102.14 104.21 14.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 73.52 110.878 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.68 162.41 14.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 73.41 110.826 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -122.11 117.4 26.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 71.22 110.851 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -143.53 159.63 42.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 62.33 110.867 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.52 91.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 64.14 111.07 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.08 149.98 21.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 60.25 111.1 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.97 -15.89 60.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 63.55 110.883 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.78 124.45 11.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 60.23 111.117 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.2 m -106.23 131.72 53.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 73.24 111.123 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.628 HD21 HG22 ' A' ' 99' ' ' ILE . 1.3 mp -129.21 118.24 22.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 42.2 110.908 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.656 HG23 ' HB2' ' A' ' 33' ' ' ARG . 3.5 m -107.58 134.85 49.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 74.44 111.152 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.525 ' HG2' HG21 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -160.07 158.12 29.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 74.32 110.889 179.905 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -93.05 161.68 14.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.415 . . . . 74.44 110.856 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.14 -59.01 4.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 75.34 110.921 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.91 -39.87 55.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 74.02 110.896 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.525 HG21 ' HG2' ' A' ' 66' ' ' MET . 14.7 mm -63.65 -42.28 95.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 73.31 111.091 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.736 ' HG3' HG11 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -51.38 -43.21 61.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 75.0 110.832 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.665 ' O ' HG22 ' A' ' 76' ' ' THR . 91.2 t80 -69.33 -30.73 68.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 63.32 110.878 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.44 -59.54 2.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 72.11 111.14 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.3 mt -71.85 -36.05 56.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 62.02 111.128 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -48.88 -41.71 28.62 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 54.01 112.457 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.665 HG22 ' O ' ' A' ' 72' ' ' PHE . 4.2 t -102.07 11.51 38.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.835 0.35 . . . . 74.33 111.139 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.01 30.11 66.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.76 -0.733 . . . . 72.34 112.448 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.59 -41.55 68.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.338 . . . . 51.42 111.045 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.6 mt -115.16 156.03 45.98 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.662 0.744 . . . . 75.14 110.908 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 109.25 2.27 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.683 2.256 . . . . 72.45 112.302 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.495 ' HB1' ' HE3' ' A' ' 85' ' ' MET . . . -55.73 -39.48 71.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 35.22 111.098 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -49.63 76.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 64.02 110.894 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.17 -45.71 90.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.46 . . . . 73.2 110.881 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.97 -51.15 55.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 63.32 111.159 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.495 ' HE3' ' HB1' ' A' ' 81' ' ' ALA . 8.5 mtt -75.76 -26.67 57.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 72.33 110.847 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.07 -30.69 71.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 44.2 111.068 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -87.94 28.53 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 63.45 110.881 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 48.53 26.59 1.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.415 . . . . 74.43 110.844 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -86.92 1.31 53.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 64.21 110.88 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.42 ' HG2' ' HG3' ' A' ' 66' ' ' MET . 1.2 mpp? -160.17 153.72 22.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 63.1 110.858 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -123.11 108.46 12.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 65.45 110.906 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.468 HG12 ' H ' ' A' ' 65' ' ' THR . 13.3 m -118.01 140.3 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 74.54 111.101 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -131.14 113.16 13.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 71.33 110.895 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.6 168.09 28.26 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.695 -0.764 . . . . 62.44 112.461 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.475 ' HB3' HD23 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -54.11 116.05 2.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 74.11 110.949 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 97.4 t -43.05 -42.54 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 73.33 111.113 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.52 -47.69 82.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 74.25 110.911 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 95' ' ' GLN . 1.3 mm? -48.31 -54.14 14.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 75.13 110.91 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.628 HG22 HD21 ' A' ' 64' ' ' LEU . 15.7 pt -68.51 -15.87 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 70.21 111.103 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -87.99 -11.92 45.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.873 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.647 HD13 HG11 ' A' ' 26' ' ' VAL . 13.4 mt -74.74 -39.6 61.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 65.23 110.894 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.9 mp -87.04 -3.32 59.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.92 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.61 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 5.1 mt-10 -64.04 -54.26 41.6 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.608 0.718 . . . . 63.23 110.843 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 54.1 Cg_endo -69.71 -7.03 19.99 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.734 2.289 . . . . 73.13 112.363 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -96.0 -16.43 21.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 74.43 110.889 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' A' ' 103' ' ' GLU . 18.5 mt -57.35 -39.68 69.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 75.54 111.11 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.59 -38.49 90.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 64.22 111.051 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.2 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 64.31 110.865 -179.769 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.761 0.315 . . . . 74.23 110.927 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.5 p -45.2 -26.98 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 54.53 110.916 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -53.6 -47.79 69.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 71.01 110.857 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -52.15 -38.72 58.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 65.44 110.933 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.553 HG21 ' C ' ' A' ' 71' ' ' MET . 73.8 t -54.93 -60.81 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 74.3 111.154 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -50.67 -44.79 57.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 72.03 110.901 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.71 -44.83 95.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 71.4 111.094 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.69 -49.05 76.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 75.32 110.986 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.6 mt -55.38 -49.64 71.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 74.53 111.139 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.18 -51.95 67.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 65.53 111.153 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -54.37 -26.74 31.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.937 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -76.39 -33.73 58.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 74.55 110.911 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.58 ' HB3' HD12 ' A' ' 19' ' ' ILE . 7.2 mt -67.35 -23.56 65.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 71.15 110.89 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -56.98 -24.37 52.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 73.03 110.909 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.96 -19.62 40.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.082 -0.508 . . . . 62.03 110.881 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.837 HG23 ' CZ ' ' A' ' 24' ' ' ARG . 96.4 mt -50.13 104.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 72.51 111.138 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.68 145.72 33.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.559 0.695 . . . . 72.22 110.944 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -11.61 31.21 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.671 2.247 . . . . 73.52 112.382 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.9 -10.04 59.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.232 -0.44 . . . . 74.4 111.077 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -174.55 104.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 71.22 110.88 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.837 ' CZ ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -116.28 -167.82 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.04 110.856 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -170.57 90.98 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 73.4 110.883 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.665 HG11 HD23 ' A' ' 98' ' ' LEU . 31.6 t 64.17 112.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 62.44 111.125 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -120.48 126.91 51.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 64.43 110.871 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -168.85 175.47 5.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 70.02 110.858 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.3 t -87.03 140.77 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 54.23 111.083 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -126.53 139.86 52.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 71.04 110.933 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.44 139.61 41.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 74.42 110.826 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.07 117.65 21.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 73.13 110.86 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.709 ' HB2' HG23 ' A' ' 65' ' ' THR . 24.3 mmt85 -104.38 131.8 51.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.875 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.8 mm -110.92 90.63 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 73.2 111.105 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.591 HG22 HG22 ' A' ' 40' ' ' VAL . 9.5 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 73.35 111.213 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.591 HG22 HG22 ' A' ' 35' ' ' THR . 4.6 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.928 0.394 . . . . 63.31 111.035 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 m -123.26 -23.67 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 44.34 111.205 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.47 154.36 26.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 64.32 110.939 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -109.6 159.29 17.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 72.11 110.862 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.505 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -143.5 138.77 29.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.485 . . . . 73.33 110.896 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 56' ' ' SER . 97.3 t -120.21 142.98 33.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 60.54 111.152 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.604 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.7 tpp -100.84 96.65 7.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 72.04 110.894 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.46 84.58 3.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 72.4 110.812 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 46' ' ' MET . 6.1 mp -78.82 -8.33 58.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 74.54 110.892 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -83.71 -55.92 4.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 64.21 110.88 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -85.75 -3.86 59.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 41.4 110.877 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.7 t 69.44 49.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 71.44 111.136 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -147.84 171.53 15.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 73.31 110.879 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.543 HD21 ' SD ' ' A' ' 46' ' ' MET . 1.4 mp -131.57 100.12 5.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 71.22 110.988 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -98.17 178.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 72.4 111.125 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.505 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 11.0 pm0 -109.71 113.52 26.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 73.52 110.879 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.508 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -167.5 167.14 13.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.889 -179.777 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.9 117.65 23.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 71.22 110.895 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -150.74 164.1 36.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 62.33 110.856 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.64 92.46 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 64.14 111.038 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.24 157.8 16.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 60.25 111.169 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -63.97 -25.17 68.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 63.55 110.905 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.33 123.98 19.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 60.23 111.074 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 54.7 m -100.35 125.27 46.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 73.24 111.136 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.849 HD21 HG22 ' A' ' 99' ' ' ILE . 2.1 mp -124.49 105.89 9.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 42.2 110.951 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.709 HG23 ' HB2' ' A' ' 33' ' ' ARG . 1.2 m -100.35 129.59 46.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 74.44 111.163 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.562 ' HG2' HG21 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -157.35 148.73 21.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.951 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -83.94 166.12 18.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 74.44 110.87 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.08 -57.07 10.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 75.34 110.905 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -51.22 -36.44 41.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 74.02 110.812 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.562 HG21 ' HG2' ' A' ' 66' ' ' MET . 13.2 mm -67.13 -35.38 74.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 73.31 111.118 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.553 ' C ' HG21 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -64.27 -46.73 82.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 75.0 110.922 179.82 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -73.45 -30.38 63.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 63.32 110.883 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.47 -59.36 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 72.11 111.109 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.462 HD12 HG23 ' A' ' 70' ' ' ILE . 59.5 mt -73.4 -46.27 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 62.02 111.149 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -48.61 -35.93 17.29 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.725 -0.75 . . . . 54.01 112.484 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 66.6 p -88.26 -21.96 24.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 74.33 111.205 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.97 31.87 16.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 72.34 112.516 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.47 -39.97 21.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.339 . . . . 51.42 111.12 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.1 mt -119.19 154.78 53.79 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.577 0.703 . . . . 75.14 110.918 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 121.82 8.51 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.71 2.274 . . . . 72.45 112.355 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.87 -25.69 68.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 35.22 111.074 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -71.16 -51.32 25.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 64.02 110.908 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.58 -45.07 95.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 73.2 110.816 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.66 -51.05 52.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 63.32 111.059 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 10.6 mtm -76.67 -26.47 54.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 72.33 110.878 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.33 -31.75 70.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 44.2 111.132 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -90.68 27.87 1.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 63.45 110.924 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 48.46 28.72 1.79 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 74.43 110.836 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.42 2.05 51.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 64.21 110.918 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.408 ' HG2' ' HG3' ' A' ' 66' ' ' MET . 0.6 OUTLIER -154.35 149.42 26.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 63.1 110.801 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -123.91 108.13 12.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 65.45 110.947 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 64' ' ' LEU . 15.6 m -125.42 144.04 36.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 74.54 111.168 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -132.96 113.2 12.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 71.33 110.82 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.14 168.23 29.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 62.44 112.494 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.408 ' HB2' HD12 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -54.51 114.8 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.861 0.362 . . . . 74.11 110.921 -179.879 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 40.7 t -44.05 -43.51 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 73.33 111.106 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -55.89 -50.17 71.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 74.25 110.89 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.665 HD23 HG11 ' A' ' 26' ' ' VAL . 70.7 mt -48.1 -53.47 16.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 75.13 110.882 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.849 HG22 HD21 ' A' ' 64' ' ' LEU . 36.1 pt -72.45 -20.75 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 70.21 111.115 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -81.57 -18.8 43.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 72.33 110.864 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.0 mt -76.19 -32.59 59.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 65.23 110.978 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.2 mp -86.67 -7.74 58.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 74.32 110.928 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.664 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 16.5 mt-10 -63.61 -51.17 68.26 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.65 0.738 . . . . 63.23 110.92 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.664 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.8 Cg_endo -69.73 -8.63 24.1 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.725 2.283 . . . . 73.13 112.335 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -101.05 -15.68 17.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 74.43 110.91 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.9 mm -44.33 -53.25 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 75.54 111.112 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -70.91 -47.83 56.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 64.22 111.082 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 64.31 110.831 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.822 0.344 . . . . 74.23 110.933 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 p -44.36 -31.8 1.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 54.53 110.891 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.97 -50.48 66.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.51 . . . . 71.01 110.9 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -52.01 -38.41 56.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 65.44 110.857 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.574 HG13 ' HA3' ' A' ' 75' ' ' GLY . 57.3 t -51.92 -60.24 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 74.3 111.088 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -47.59 -43.02 25.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 72.03 110.839 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.22 -39.13 85.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 71.4 111.099 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -67.68 -53.6 26.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 75.32 110.906 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.2 mt -55.31 -38.96 49.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 74.53 111.188 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.507 ' HB2' ' HB2' ' A' ' 53' ' ' LEU . . . -71.02 -52.43 19.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 65.53 111.107 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -52.99 -30.42 35.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 74.23 110.871 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -33.07 69.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 74.55 110.849 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.439 ' HB3' HG13 ' A' ' 51' ' ' VAL . 7.5 mt -65.29 -23.75 67.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 71.15 110.854 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -54.36 -21.81 10.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 73.03 110.872 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.11 -27.3 22.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 62.03 110.89 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.812 HG23 ' CZ ' ' A' ' 24' ' ' ARG . 54.1 mt -47.55 104.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 72.51 111.106 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.36 144.36 28.84 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.65 0.738 . . . . 72.22 110.837 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -10.34 28.29 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 73.52 112.347 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.71 -10.43 59.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 74.4 111.115 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.25 103.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 71.22 110.853 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.812 ' CZ ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -118.44 177.03 4.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 73.04 110.856 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -113.06 -42.65 3.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 73.4 110.959 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 p -173.95 142.01 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 62.44 111.075 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -117.02 124.03 48.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 64.43 110.908 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -171.38 179.4 2.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 70.02 110.861 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.5 t -93.08 139.2 18.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 54.23 111.147 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.771 ' CE2' HD13 ' A' ' 64' ' ' LEU . 6.6 t80 -128.33 136.24 50.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 71.04 110.942 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -117.12 142.48 46.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 74.42 110.915 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.473 ' CE2' ' HE1' ' A' ' 46' ' ' MET . 0.1 OUTLIER -121.03 152.55 38.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 73.13 110.901 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.563 ' CD ' HG23 ' A' ' 65' ' ' THR . 1.2 ttt180 -126.12 127.06 45.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 75.14 110.928 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 40.3 mm -115.91 90.71 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 73.2 111.088 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.546 HG22 ' HA ' ' A' ' 40' ' ' VAL . 4.9 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 73.35 111.148 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.546 ' HA ' HG22 ' A' ' 35' ' ' THR . 12.1 p . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.859 0.361 . . . . 63.31 111.174 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.6 m -124.54 -17.64 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 44.34 111.128 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.22 143.94 1.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 64.32 110.907 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.02 156.53 17.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 72.11 110.893 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.417 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.8 OUTLIER -128.78 160.12 33.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.259 -0.428 . . . . 73.33 110.888 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 56' ' ' SER . 28.4 t -132.97 143.11 40.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 60.54 111.173 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.473 ' HE1' ' CE2' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -109.34 104.32 13.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 72.04 110.855 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -81.04 84.59 6.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 72.4 110.922 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.7 mt -78.53 -15.76 58.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.3 -0.409 . . . . 74.54 110.848 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -76.57 -46.14 27.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 64.21 110.938 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.57 -4.24 51.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 41.4 110.861 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.439 HG13 ' HB3' ' A' ' 16' ' ' LEU . 3.7 t 67.73 48.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 71.44 111.105 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -148.45 164.45 34.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 73.31 110.838 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.507 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 1.6 mp -121.08 130.88 53.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 71.22 110.896 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 m -135.23 171.68 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 72.4 111.16 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.2 pm0 -108.02 114.23 27.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 73.52 110.843 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.699 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -167.67 166.99 13.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 73.41 110.799 -179.759 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.1 117.4 23.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.063 -0.517 . . . . 71.22 110.89 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.06 164.27 38.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 62.33 110.958 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.41 91.39 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 64.14 111.097 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.51 149.97 20.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 60.25 111.126 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -22.06 66.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 63.55 110.889 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.59 124.01 19.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 60.23 111.12 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.6 m -110.66 123.36 49.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 73.24 111.165 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.771 HD13 ' CE2' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -117.87 122.1 42.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 42.2 110.923 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.563 HG23 ' CD ' ' A' ' 33' ' ' ARG . 4.5 m -106.19 126.14 51.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.251 -0.431 . . . . 74.44 111.129 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.487 ' SD ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -155.42 144.74 20.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 74.32 110.838 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -78.88 160.44 27.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 74.44 110.924 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.5 -58.93 3.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.161 -0.472 . . . . 75.34 110.879 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.77 -34.37 27.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 74.02 110.891 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.422 HG21 ' HG2' ' A' ' 66' ' ' MET . 12.0 mm -71.67 -42.4 71.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 73.31 111.125 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.442 ' HG3' HG11 ' A' ' 8' ' ' VAL . 11.3 tpt -52.78 -46.43 67.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 75.0 110.857 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -69.09 -30.43 68.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 63.32 110.866 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.09 -59.53 2.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 72.11 111.108 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.717 ' O ' HG23 ' A' ' 106' ' ' ILE . 41.3 mt -67.38 -47.32 81.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 62.02 111.153 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.574 ' HA3' HG13 ' A' ' 8' ' ' VAL . . . -50.74 -37.62 34.97 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.746 -0.74 . . . . 54.01 112.522 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 65.7 p -90.51 -10.73 42.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 74.33 111.087 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.43 33.78 52.07 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.777 -0.725 . . . . 72.34 112.45 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.56 -39.62 17.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 51.42 111.082 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.0 mt -118.22 150.8 48.3 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 121.657 0.741 . . . . 75.14 110.899 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 122.6 9.3 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.616 2.21 . . . . 72.45 112.391 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.459 ' HB1' ' HE3' ' A' ' 85' ' ' MET . . . -65.04 -27.02 68.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 35.22 111.114 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -53.73 13.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 64.02 110.909 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.6 -44.15 96.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 73.2 110.877 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.97 -51.0 56.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 63.32 111.068 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.459 ' HE3' ' HB1' ' A' ' 81' ' ' ALA . 8.1 mtm -76.85 -26.46 54.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 72.33 110.862 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.32 -31.18 70.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 44.2 111.053 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -89.19 28.41 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 63.45 110.928 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 46.66 28.55 0.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 74.43 110.906 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.63 4.42 51.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 64.21 110.926 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.4 ' HG2' ' HG3' ' A' ' 66' ' ' MET . 0.1 OUTLIER -160.63 147.98 15.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 63.1 110.901 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -121.44 108.37 13.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 65.45 110.797 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 90.1 t -111.78 143.05 22.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 74.54 111.17 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -131.63 113.27 13.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 71.33 110.841 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.77 167.37 27.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.779 -0.724 . . . . 62.44 112.542 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.767 ' HB2' HD12 ' A' ' 98' ' ' LEU . 1.5 tp60 -56.33 120.98 8.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 74.11 110.902 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 87.9 t -43.12 -53.45 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 73.33 111.121 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.87 -49.18 76.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 74.25 110.871 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.767 HD12 ' HB2' ' A' ' 95' ' ' GLN . 2.1 mt -48.37 -54.04 15.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 75.13 110.916 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.542 HG22 HD11 ' A' ' 64' ' ' LEU . 30.8 pt -71.87 -23.8 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 70.21 111.113 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -75.26 -12.84 60.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.463 . . . . 72.33 110.877 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 44.2 mt -75.7 -32.43 60.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 65.23 110.925 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.1 mp -88.15 -7.73 56.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 74.32 110.885 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.683 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 18.1 mt-10 -64.65 -48.97 72.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.722 0.773 . . . . 63.23 110.913 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.683 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.6 Cg_endo -69.82 -8.0 22.51 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.662 2.241 . . . . 73.13 112.305 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -101.29 -17.07 16.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 74.43 110.918 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.717 HG23 ' O ' ' A' ' 74' ' ' ILE . 30.7 mt -55.14 -53.14 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 75.54 111.081 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -94.01 24.35 4.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 64.22 111.044 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 64.31 110.892 -179.791 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.78 0.324 . . . . 63.32 110.914 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.89 130.74 37.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 54.23 110.849 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.516 HD12 ' HB2' ' A' ' 5' ' ' SER . 0.3 OUTLIER -96.01 178.0 5.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.495 . . . . 75.02 110.907 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.9 mmpt? -65.42 -58.95 4.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.875 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.516 ' HB2' HD12 ' A' ' 3' ' ' LEU . 17.9 m -46.07 -29.38 1.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 54.53 110.847 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.21 -49.95 68.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 71.01 110.857 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.53 -36.99 56.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 65.44 110.861 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.1 t -54.58 -59.78 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 74.3 111.131 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -50.21 -45.18 53.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 72.03 110.923 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.87 98.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 71.4 111.088 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.456 ' HB3' HD22 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -61.51 -52.13 65.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.426 . . . . 75.32 110.868 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.3 mt -54.46 -51.97 44.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 74.53 111.134 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.469 ' HA ' HD12 ' A' ' 16' ' ' LEU . . . -57.09 -51.72 68.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 65.53 111.092 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.23 -33.47 65.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.863 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.407 ' HG3' ' HB2' ' A' ' 108' ' ' SER . 0.0 OUTLIER -69.26 -35.21 75.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 74.55 110.904 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.606 ' HB3' HG13 ' A' ' 51' ' ' VAL . 66.3 mt -60.99 -32.81 72.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 71.15 110.885 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -66.21 -15.93 63.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 73.03 110.887 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.66 -50.19 18.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 62.03 110.895 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.475 HD12 ' HA ' ' A' ' 16' ' ' LEU . 2.7 mp -47.76 104.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.493 . . . . 72.51 111.152 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.99 144.93 99.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.623 0.725 . . . . 72.22 110.894 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -15.25 36.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.256 . . . . 73.52 112.356 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.02 -2.28 39.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 74.4 111.11 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -168.54 104.62 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 71.22 110.882 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.7 mmm-85 -109.31 169.19 8.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 73.04 110.879 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -115.48 -78.54 0.58 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 73.4 110.923 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.436 ' HB ' HD13 ' A' ' 101' ' ' LEU . 92.2 t -151.08 113.66 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 62.44 111.157 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.41 135.56 54.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 64.43 110.892 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -162.67 178.98 8.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 70.02 110.868 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.3 t -86.86 122.05 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 54.23 111.135 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -117.89 162.31 18.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 71.04 110.909 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.535 ' HE2' HG23 ' A' ' 63' ' ' THR . 9.5 ttpt -124.5 136.08 53.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 74.42 110.894 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -126.65 121.09 31.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 73.13 110.829 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.634 ' CB ' HG23 ' A' ' 65' ' ' THR . 0.0 OUTLIER -109.79 130.95 55.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 75.14 110.866 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.714 ' O ' HG12 ' A' ' 41' ' ' VAL . 24.6 mm -107.59 90.99 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 73.2 111.114 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.659 HG22 ' HA ' ' A' ' 40' ' ' VAL . 15.5 p -89.34 137.48 32.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 73.35 111.147 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.413 ' HG2' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -107.16 97.49 7.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 63.41 110.912 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.08 -50.08 2.77 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 64.45 112.492 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.78 -23.18 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 74.12 112.535 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -108.66 146.63 33.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 62.52 110.885 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.659 ' HA ' HG22 ' A' ' 35' ' ' THR . 44.0 t -62.35 149.15 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 63.31 111.135 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.714 HG12 ' O ' ' A' ' 34' ' ' ILE . 1.2 p -125.07 -18.27 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 44.34 111.144 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -174.64 165.39 3.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 64.32 110.882 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -112.66 154.1 26.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 72.11 110.844 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.473 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -139.89 142.29 36.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 73.33 110.955 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 56' ' ' SER . 26.9 t -123.85 141.88 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 60.54 111.144 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.488 ' SD ' HD21 ' A' ' 53' ' ' LEU . 1.1 tpp -100.63 100.52 11.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 72.04 110.891 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.27 80.21 5.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 72.4 110.822 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.44 HD13 HD22 ' A' ' 16' ' ' LEU . 1.0 OUTLIER -73.88 -12.87 60.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 74.54 110.908 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -82.13 -52.32 7.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 64.21 110.861 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -86.86 -6.36 58.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 41.4 110.826 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.606 HG13 ' HB3' ' A' ' 16' ' ' LEU . 5.1 t 69.74 48.53 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 71.44 111.184 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.66 170.11 18.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 73.31 110.941 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.488 HD21 ' SD ' ' A' ' 46' ' ' MET . 2.2 mp -129.52 100.43 5.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 71.22 110.885 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 m -99.77 175.07 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 72.4 111.146 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.473 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.8 pm0 -106.78 111.04 23.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 73.52 110.915 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.706 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -167.15 166.59 14.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 73.41 110.861 -179.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.81 118.28 23.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 71.22 110.906 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.5 162.69 39.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 62.33 110.846 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.28 91.31 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 64.14 111.072 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -93.7 156.18 16.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 60.25 111.14 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.82 -22.28 66.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 63.55 110.894 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.97 124.14 17.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 60.23 111.115 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.535 HG23 ' HE2' ' A' ' 31' ' ' LYS . 97.9 m -104.03 128.23 51.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 73.24 111.156 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.84 114.44 19.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 42.2 110.918 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.634 HG23 ' CB ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -110.16 129.26 55.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 74.44 111.152 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.444 ' HG3' ' HG2' ' A' ' 90' ' ' MET . 0.3 OUTLIER -155.66 144.94 20.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 74.32 110.844 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -78.52 158.83 28.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 74.44 110.932 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.84 -52.47 32.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 75.34 110.895 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.08 -35.15 24.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 74.02 110.852 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.429 ' CG2' HD12 ' A' ' 74' ' ' ILE . 14.9 mm -83.6 -24.8 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 73.31 111.098 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.538 ' HG3' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -57.52 -52.38 65.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 75.0 110.882 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.491 ' C ' ' CD1' ' A' ' 72' ' ' PHE . 3.6 p90 -73.9 -29.12 61.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 63.32 110.91 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.58 -59.97 2.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 72.11 111.104 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.429 HD12 ' CG2' ' A' ' 70' ' ' ILE . 71.3 mt -70.77 -43.13 77.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 62.02 111.109 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.617 ' O ' HD12 ' A' ' 109' ' ' LEU . . . -52.63 -38.25 52.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 54.01 112.5 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 34.4 p -93.94 1.76 56.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 74.33 111.11 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.48 28.96 73.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 72.34 112.527 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.56 -39.69 70.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.319 . . . . 51.42 111.049 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 31.2 mt -119.74 153.78 54.67 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.575 0.703 . . . . 75.14 110.957 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 122.66 9.34 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.666 2.244 . . . . 72.45 112.352 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.456 ' HB1' ' HE1' ' A' ' 85' ' ' MET . . . -60.59 -28.48 68.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 35.22 111.096 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.19 -57.05 4.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 64.02 110.901 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.26 -43.71 98.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 73.2 110.849 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.491 ' HB1' ' SD ' ' A' ' 90' ' ' MET . . . -51.04 -51.55 52.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 63.32 111.079 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.456 ' HE1' ' HB1' ' A' ' 81' ' ' ALA . 8.0 mtm -77.11 -26.86 53.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.882 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.93 -31.88 67.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 44.2 111.127 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -90.11 27.62 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 63.45 110.866 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 46.35 30.17 0.99 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.829 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -94.44 7.07 46.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 64.21 110.927 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.491 ' SD ' ' HB1' ' A' ' 84' ' ' ALA . 2.3 mtm -150.95 144.19 24.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 63.1 110.88 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -119.22 108.91 15.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 65.45 110.932 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.7 p -128.19 140.34 49.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 74.54 111.105 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -131.75 113.78 13.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 71.33 110.84 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.38 168.04 28.96 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.718 -0.753 . . . . 62.44 112.493 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.449 ' HB3' HD12 ' A' ' 98' ' ' LEU . 52.5 tp60 -54.29 118.59 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 74.11 110.919 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.4 t -43.19 -50.2 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 73.33 111.128 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -50.33 71.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 74.25 110.887 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.775 ' HA ' HD12 ' A' ' 101' ' ' LEU . 7.7 mt -48.48 -54.11 15.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 75.13 110.903 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.441 ' O ' ' HG3' ' A' ' 200' ' ' PLM . 43.6 pt -68.96 -24.23 28.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 70.21 111.16 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.17 -15.37 60.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 72.33 110.899 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.775 HD12 ' HA ' ' A' ' 98' ' ' LEU . 4.6 mt -76.01 -32.61 59.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 65.23 110.966 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.471 HD23 ' HA1' ' A' ' 200' ' ' PLM . 7.3 mp -84.65 -12.26 54.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 74.32 110.978 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.621 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 18.4 mt-10 -59.74 -53.48 65.18 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.64 0.733 . . . . 63.23 110.898 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.621 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.7 Cg_endo -69.71 -9.16 25.44 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 73.13 112.39 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -95.77 -17.26 21.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.897 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.697 HD11 ' HE1' ' A' ' 200' ' ' PLM . 23.4 mt -56.51 -44.58 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 75.54 111.113 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.71 -37.48 71.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 64.22 111.114 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.407 ' HB2' ' HG3' ' A' ' 15' ' ' ARG . 24.2 m -50.68 -27.37 6.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 64.31 110.899 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.617 HD12 ' O ' ' A' ' 75' ' ' GLY . 5.7 mt -86.0 169.47 13.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 61.52 110.886 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 61.55 110.882 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' PLM . . . . . 0.697 ' HE1' HD11 ' A' ' 106' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ttt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.771 0.319 . . . . 63.32 110.861 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -127.28 140.94 51.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 54.23 110.855 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.98 170.82 7.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 75.02 110.904 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -67.56 -60.32 2.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.85 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.403 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 79.4 p -44.7 -30.96 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 54.53 110.817 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -53.97 -50.44 66.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 71.01 110.928 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.76 -37.01 39.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 65.44 110.885 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.812 HG11 ' HG3' ' A' ' 71' ' ' MET . 92.8 t -56.43 -57.94 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 74.3 111.12 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -48.9 -45.54 41.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 72.03 110.898 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.58 -47.73 84.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 71.4 111.086 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.666 ' HB2' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -58.45 -53.01 63.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 75.32 110.902 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.759 HG13 HD21 ' A' ' 109' ' ' LEU . 22.9 mt -54.76 -54.04 26.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 74.53 111.125 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.69 -52.92 62.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 65.53 111.152 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -53.69 -29.49 39.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 74.23 110.884 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -33.49 64.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 74.55 110.823 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.718 ' HB3' HD12 ' A' ' 19' ' ' ILE . 7.4 mt -66.99 -20.74 65.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 71.15 110.86 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -56.24 -21.78 25.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 73.03 110.88 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.18 -22.63 26.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 62.03 110.905 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.746 HG23 ' CZ ' ' A' ' 24' ' ' ARG . 96.5 mt -49.84 104.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.057 -0.519 . . . . 72.51 111.104 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.69 143.44 28.2 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 121.623 0.725 . . . . 72.22 110.887 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -16.15 37.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.72 2.28 . . . . 73.52 112.26 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.54 -6.66 49.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 74.4 111.08 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -171.34 103.8 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 71.22 110.888 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.746 ' CZ ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -125.13 173.44 8.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 73.04 110.902 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.456 ' HB3' HD11 ' A' ' 101' ' ' LEU . 55.8 mm-40 -124.37 -55.75 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 73.4 110.909 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.798 HG11 HD23 ' A' ' 98' ' ' LEU . 98.7 t -151.82 109.62 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 62.44 111.108 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.74 125.12 51.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 64.43 110.898 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.56 179.16 3.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 70.02 110.844 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.4 t -91.82 133.1 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 54.23 111.134 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -119.97 167.22 12.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 71.04 110.954 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.643 ' CE ' HG22 ' A' ' 45' ' ' VAL . 1.3 tpmt? -134.06 136.57 44.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 74.42 110.898 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.482 ' O ' ' HB2' ' A' ' 44' ' ' TRP . 0.4 OUTLIER -130.19 111.36 12.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 73.13 110.887 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.742 ' HB2' HG23 ' A' ' 65' ' ' THR . 3.1 mtt-85 -100.02 134.7 42.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 75.14 110.82 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.628 ' O ' HG22 ' A' ' 41' ' ' VAL . 23.3 mm -104.58 90.44 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 73.2 111.103 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.822 HG22 HG22 ' A' ' 40' ' ' VAL . 80.4 p -91.22 158.97 16.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 73.35 111.115 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -135.52 98.04 3.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 63.41 110.925 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.17 -50.98 1.89 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 64.45 112.461 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.17 -31.44 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 74.12 112.508 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -102.76 155.33 18.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.349 . . . . 62.52 110.938 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.822 HG22 HG22 ' A' ' 35' ' ' THR . 47.8 t -80.86 148.94 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 63.31 111.127 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.628 HG22 ' O ' ' A' ' 34' ' ' ILE . 29.3 m -125.05 -18.33 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 44.34 111.182 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.96 156.93 15.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 64.32 110.878 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.02 152.64 34.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 72.11 110.894 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.482 ' HB2' ' O ' ' A' ' 32' ' ' PHE . 0.4 OUTLIER -135.6 147.09 48.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 73.33 110.925 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 56' ' ' SER . 29.1 t -121.81 142.87 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 60.54 111.14 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.418 ' HG3' HD11 ' A' ' 53' ' ' LEU . 5.3 ttm -100.77 97.33 7.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 72.04 110.888 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.57 80.45 4.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 72.4 110.871 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 48' ' ' LEU . 10.8 mt -74.29 -10.12 59.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 74.54 110.921 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -82.03 -52.6 6.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 64.21 110.929 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.406 ' C ' HG23 ' A' ' 51' ' ' VAL . 6.1 t30 -87.43 -5.44 58.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 41.4 110.904 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.406 HG23 ' C ' ' A' ' 50' ' ' ASN . 3.5 t 70.51 47.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 71.44 111.1 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.3 168.47 22.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 73.31 110.964 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.418 HD11 ' HG3' ' A' ' 46' ' ' MET . 0.8 OUTLIER -128.0 100.56 5.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 71.22 110.97 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 m -97.96 176.05 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 72.4 111.096 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.479 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 4.1 pm0 -107.79 111.24 23.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 73.52 110.972 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.687 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -167.64 167.75 13.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 73.41 110.876 -179.769 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -128.01 118.41 23.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 71.22 110.828 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.89 163.19 38.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 62.33 110.849 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.68 91.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 64.14 111.088 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.538 ' HB2' ' NZ ' ' A' ' 31' ' ' LYS . . . -94.42 149.23 21.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 60.25 111.067 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -22.51 66.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 63.55 110.912 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.67 124.26 18.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 60.23 111.099 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.7 m -104.8 127.4 52.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 73.24 111.108 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.38 106.95 10.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 42.2 110.919 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.742 HG23 ' HB2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -98.93 128.8 45.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 74.44 111.156 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -155.04 144.22 21.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 74.32 110.875 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -78.81 162.48 26.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 74.44 110.936 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.75 -59.03 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 75.34 110.851 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -51.29 -42.97 61.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 74.02 110.8 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.417 HD13 ' HA ' ' A' ' 70' ' ' ILE . 15.2 mm -60.27 -37.23 73.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 73.31 111.181 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.812 ' HG3' HG11 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -60.81 -45.64 93.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.0 110.941 179.794 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -69.41 -30.37 68.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 63.32 110.916 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.603 ' HB1' ' HG ' ' A' ' 79' ' ' LEU . . . -75.38 -59.43 2.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 72.11 111.118 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.43 ' O ' HG23 ' A' ' 106' ' ' ILE . 55.7 mt -69.11 -44.32 81.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 62.02 111.109 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.459 ' O ' HD22 ' A' ' 109' ' ' LEU . . . -52.17 -39.81 51.02 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.755 -0.736 . . . . 54.01 112.465 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 41.4 p -92.65 7.13 44.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.343 . . . . 74.33 111.124 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 58.02 30.91 64.22 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.755 -0.736 . . . . 72.34 112.473 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.82 -38.81 70.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 51.42 111.083 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.603 ' HG ' ' HB1' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -125.74 157.17 69.66 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.621 0.724 . . . . 75.14 110.947 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 123.51 10.16 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.667 2.245 . . . . 72.45 112.331 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.03 -26.85 67.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 35.22 111.109 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.21 -56.68 5.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 64.02 110.884 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -43.39 97.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 73.2 110.898 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.633 ' HB1' ' HE1' ' A' ' 90' ' ' MET . . . -51.03 -52.96 37.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 63.32 111.162 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.9 mtm -75.26 -26.44 58.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 72.33 110.852 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.93 -34.69 70.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 44.2 111.068 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -87.29 27.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 63.45 110.928 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 46.65 28.92 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.897 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.31 2.83 56.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 64.21 110.846 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.633 ' HE1' ' HB1' ' A' ' 84' ' ' ALA . 3.1 mtm -150.43 146.22 26.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 63.1 110.872 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -118.47 108.77 15.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 65.45 110.918 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.1 p -124.59 137.61 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 74.54 111.081 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -131.22 113.47 13.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 71.33 110.872 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.37 168.11 29.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 62.44 112.495 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.689 ' HB2' HD12 ' A' ' 98' ' ' LEU . 11.8 tp60 -54.36 120.2 6.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.804 0.335 . . . . 74.11 110.913 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.4 t -43.0 -50.72 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 73.33 111.164 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.86 -50.09 73.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 74.25 110.834 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.798 HD23 HG11 ' A' ' 26' ' ' VAL . 34.8 mt -48.03 -53.91 14.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 75.13 110.855 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 34.5 pt -71.45 -24.17 23.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 70.21 111.124 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -75.77 -14.27 60.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 72.33 110.812 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.456 HD11 ' HB3' ' A' ' 25' ' ' GLN . 1.0 OUTLIER -75.33 -35.52 61.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 65.23 110.903 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.502 HD11 ' H52' ' A' ' 200' ' ' PLM . 5.7 mp -85.14 -7.45 59.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 74.32 110.901 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.629 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 19.7 mt-10 -63.33 -53.36 53.75 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.625 0.726 . . . . 63.23 110.893 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.629 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 54.3 Cg_endo -69.67 -7.78 21.92 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.757 2.305 . . . . 73.13 112.37 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -97.99 -17.09 19.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.896 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.561 HD11 ' HE1' ' A' ' 200' ' ' PLM . 23.3 mt -51.61 -39.42 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 75.54 111.132 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.7 -36.18 83.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 64.22 111.073 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 32.0 m -51.48 -28.99 14.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 64.31 110.857 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.759 HD21 HG13 ' A' ' 12' ' ' ILE . 5.4 mp -69.37 171.19 9.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 61.52 110.877 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 61.55 110.867 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' PLM . . . . . 0.72 ' C4 ' HD11 ' A' ' 19' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.5 ptt? . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.809 0.338 . . . . 63.32 110.942 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.95 135.99 29.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 54.23 110.828 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.9 151.7 46.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 75.02 110.9 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -61.53 -58.4 8.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.897 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.5 m -45.88 -29.88 1.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 54.53 110.886 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -54.14 -49.86 68.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 71.01 110.916 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.99 -36.6 50.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 65.44 110.884 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.601 HG11 ' HG3' ' A' ' 71' ' ' MET . 57.3 t -56.43 -59.44 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 74.3 111.125 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -50.67 -46.39 58.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 72.03 110.85 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.63 -43.33 99.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 71.4 111.139 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.662 ' HB3' HD22 ' A' ' 109' ' ' LEU . 25.9 mmtm -58.59 -50.64 73.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 75.32 110.894 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.468 HG23 ' C8 ' ' A' ' 200' ' ' PLM . 41.3 mt -54.61 -51.09 54.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 74.53 111.127 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.665 ' HA ' HD12 ' A' ' 16' ' ' LEU . . . -57.16 -51.86 67.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 65.53 111.074 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -55.11 -32.17 61.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 74.23 110.917 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -34.62 72.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 74.55 110.96 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 13' ' ' ALA . 26.6 mt -61.87 -33.46 74.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 71.15 110.87 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -69.25 -13.7 62.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 73.03 110.926 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.36 -51.12 16.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 62.03 110.814 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 16' ' ' LEU . 2.7 mt -47.82 104.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 72.51 111.121 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.74 144.79 89.16 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.591 0.71 . . . . 72.22 110.87 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -16.77 37.66 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.721 2.28 . . . . 73.52 112.326 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.41 -0.44 37.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 74.4 111.09 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -170.72 104.79 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 71.22 110.815 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.49 ' HD2' HG22 ' A' ' 19' ' ' ILE . 41.8 mmm-85 -107.28 174.36 5.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 73.04 110.789 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -110.92 -83.07 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 73.4 110.956 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.9 t -136.58 105.09 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 62.44 111.115 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.86 126.46 34.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 64.43 110.88 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.588 ' O ' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -169.56 170.87 7.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 70.02 110.893 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.3 t -98.35 130.13 47.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 54.23 111.145 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.593 ' HD1' ' HB3' ' A' ' 62' ' ' ALA . 22.0 m-85 -117.27 161.13 19.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 71.04 110.933 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.513 ' CE ' HG22 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -125.89 138.73 53.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 74.42 110.885 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' A' ' 44' ' ' TRP . 0.1 OUTLIER -131.03 123.01 27.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 73.13 110.855 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -117.5 134.46 54.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 75.14 110.849 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.44 ' O ' HG12 ' A' ' 41' ' ' VAL . 20.2 mm -112.85 127.74 69.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 73.2 111.169 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.19 163.23 12.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 73.35 111.156 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.522 ' HB3' ' HB ' ' A' ' 41' ' ' VAL . 1.8 tt0 -143.32 98.01 3.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 63.41 110.9 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.22 42.68 18.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 64.45 112.532 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.54 8.43 66.94 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 74.12 112.491 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.97 131.6 37.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.815 0.34 . . . . 62.52 110.91 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.5 p -44.72 145.56 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 63.31 111.071 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.522 ' HB ' ' HB3' ' A' ' 36' ' ' GLN . 1.1 p -127.19 -29.34 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 44.34 111.149 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.79 165.69 3.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 64.32 110.885 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.48 152.83 29.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 72.11 110.904 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.451 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -135.36 145.04 46.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 73.33 110.897 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 56' ' ' SER . 26.6 t -125.0 141.57 44.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 60.54 111.153 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.459 ' SD ' HD21 ' A' ' 53' ' ' LEU . 2.3 tpp -100.76 97.36 8.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 72.04 110.899 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -76.14 80.56 2.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 72.4 110.9 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.588 HD13 ' O ' ' A' ' 28' ' ' HIS . 1.2 mp -72.89 -11.94 60.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 74.54 110.935 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -83.07 -53.02 6.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 64.21 110.893 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -85.81 -7.28 58.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 41.4 110.924 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.498 HG13 ' HB3' ' A' ' 16' ' ' LEU . 5.3 t 69.95 48.78 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 71.44 111.125 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.43 167.11 26.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 73.31 110.871 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.459 HD21 ' SD ' ' A' ' 46' ' ' MET . 3.3 mp -125.38 100.3 6.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 71.22 110.965 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 m -99.92 176.52 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.116 -0.493 . . . . 72.4 111.177 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.451 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.2 pm0 -108.03 110.92 22.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 73.52 110.93 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.734 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -168.89 170.13 9.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 73.41 110.83 -179.795 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -128.54 116.37 19.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 71.22 110.926 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -156.04 169.56 24.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.499 . . . . 62.33 110.888 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.9 157.83 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 64.14 111.082 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -168.27 141.45 3.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 60.25 111.12 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.58 -24.93 68.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 63.55 110.89 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.593 ' HB3' ' HD1' ' A' ' 30' ' ' TYR . . . -139.56 124.21 18.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 60.23 111.083 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 77.6 m -108.54 129.4 55.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 73.24 111.109 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.629 HD21 HG22 ' A' ' 99' ' ' ILE . 0.8 OUTLIER -127.41 114.41 17.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 42.2 110.899 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -104.39 132.2 50.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 74.44 111.138 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.7 mtt -155.68 144.4 20.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.869 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -78.95 161.33 26.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 74.44 110.895 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.05 -59.09 3.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 75.34 110.853 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -51.35 -36.48 43.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.02 110.846 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.4 mm -70.69 -32.6 49.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 73.31 111.102 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.601 ' HG3' HG11 ' A' ' 8' ' ' VAL . 1.7 tpt -62.49 -47.2 85.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 75.0 110.874 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -67.24 -32.03 72.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 63.32 110.876 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.65 -60.15 2.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 72.11 111.152 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.9 mm -63.22 -43.63 98.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 62.02 111.129 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.62 ' O ' HD12 ' A' ' 109' ' ' LEU . . . -52.06 -36.06 42.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 54.01 112.517 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.7 p -97.29 0.43 48.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.343 . . . . 74.33 111.129 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 68.41 33.22 76.79 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.786 -0.721 . . . . 72.34 112.454 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.72 -43.83 16.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 51.42 111.137 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 28.4 mt -106.54 144.76 29.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.714 . . . . 75.14 110.917 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 120.25 7.07 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.668 2.246 . . . . 72.45 112.326 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.474 ' O ' ' HE3' ' A' ' 85' ' ' MET . . . -59.53 -33.67 71.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 35.22 111.115 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.11 -57.01 4.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 64.02 110.895 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -44.87 93.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 73.2 110.852 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.07 -52.75 40.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 63.32 111.128 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.474 ' HE3' ' O ' ' A' ' 81' ' ' ALA . 4.4 mtt -74.16 -26.84 60.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 72.33 110.783 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.9 -32.06 71.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 44.2 111.072 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.22 27.51 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 63.45 110.951 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 46.46 29.55 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 74.43 110.903 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -94.26 2.01 55.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 64.21 110.917 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.9 mtm -154.32 148.71 26.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 63.1 110.876 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -120.49 108.55 14.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 65.45 110.856 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.4 p -123.25 140.03 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 74.54 111.125 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -132.71 113.64 13.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.473 . . . . 71.33 110.835 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.8 167.36 27.36 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 62.44 112.447 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.17 119.36 6.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.832 0.349 . . . . 74.11 110.904 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.3 t -42.67 -45.74 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 73.33 111.149 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.08 -48.97 79.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 74.25 110.847 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.74 ' HA ' HD12 ' A' ' 101' ' ' LEU . 61.0 mt -48.6 -54.36 14.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 75.13 110.94 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.629 HG22 HD21 ' A' ' 64' ' ' LEU . 46.9 pt -69.67 -29.12 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 70.21 111.114 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -70.06 -16.29 63.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 72.33 110.839 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' A' ' 98' ' ' LEU . 10.4 mt -76.16 -33.32 59.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 65.23 110.943 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.469 HD23 ' HA1' ' A' ' 200' ' ' PLM . 6.7 mp -82.73 -12.97 57.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.956 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.623 ' HA ' HD12 ' A' ' 106' ' ' ILE . 25.6 mt-10 -58.57 -55.0 50.45 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.66 0.743 . . . . 63.23 110.876 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 54.2 Cg_endo -69.74 -10.09 27.72 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.719 2.279 . . . . 73.13 112.296 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -94.4 -17.75 22.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 74.43 110.902 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.675 HD11 ' HE1' ' A' ' 200' ' ' PLM . 19.8 mt -55.58 -48.01 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 75.54 111.108 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.73 -35.92 56.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 64.22 111.131 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.0 t -51.69 -28.76 15.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 64.31 110.837 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.662 HD22 ' HB3' ' A' ' 11' ' ' LYS . 8.6 mt -80.49 170.27 16.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 61.52 110.933 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.5 mttm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 61.55 110.931 179.815 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' PLM . . . . . 0.675 ' HE1' HD11 ' A' ' 106' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.833 0.349 . . . . 63.32 110.897 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.3 p -53.23 148.98 7.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 54.23 110.832 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.3 mt -74.28 128.43 35.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 75.02 110.934 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -47.65 -48.99 28.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.897 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.69 -32.3 1.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 54.53 110.823 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -54.45 -47.91 72.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.475 . . . . 71.01 110.853 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -55.16 -39.43 69.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 65.44 110.938 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.607 HG21 ' HA ' ' A' ' 72' ' ' PHE . 31.0 t -58.32 -57.1 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 74.3 111.134 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -48.75 -41.85 33.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 72.03 110.819 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.56 -47.98 83.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 71.4 111.121 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.07 -49.27 69.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 75.32 110.908 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.441 HG23 ' C8 ' ' A' ' 200' ' ' PLM . 20.4 mt -54.91 -43.14 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.53 111.142 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.27 -53.57 28.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 65.53 111.167 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.9 tttt -54.82 -32.22 60.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.86 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.47 -35.03 75.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 74.55 110.822 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.732 HD21 ' H62' ' A' ' 200' ' ' PLM . 66.9 mt -60.7 -33.47 72.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 71.15 110.846 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.518 ' HA ' HG11 ' A' ' 51' ' ' VAL . 70.3 mt-10 -63.47 -17.14 62.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 73.03 110.916 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.1 m -77.04 -42.26 39.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 62.03 110.837 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.668 HD12 ' HA ' ' A' ' 16' ' ' LEU . 8.0 mt -48.29 104.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 72.51 111.127 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.41 145.72 99.03 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.664 0.745 . . . . 72.22 110.87 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.76 -20.71 34.46 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.638 2.225 . . . . 73.52 112.295 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.64 5.36 39.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 74.4 111.097 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -165.14 104.79 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 71.22 110.903 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.0 mmm-85 -99.25 -168.27 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 73.04 110.857 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -155.21 82.72 1.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 73.4 110.868 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.43 HG11 HD23 ' A' ' 98' ' ' LEU . 40.6 t 60.55 95.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 62.44 111.16 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.28 126.26 32.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 64.43 110.91 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.701 ' CD2' HD22 ' A' ' 98' ' ' LEU . 11.0 p-80 -169.76 179.19 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 70.02 110.821 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.9 t -126.16 138.51 54.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 54.23 111.176 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.726 ' OH ' HD11 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -136.3 149.02 48.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 71.04 110.908 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -105.69 148.96 26.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 74.42 110.867 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.11 146.54 45.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.13 110.885 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.6 mtt180 -128.61 127.78 42.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 75.14 110.892 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.603 ' O ' HG12 ' A' ' 41' ' ' VAL . 47.4 mm -116.11 98.47 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 73.2 111.144 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 40' ' ' VAL . 1.4 p -82.87 139.84 33.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 73.35 111.193 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.584 HE21 HG21 ' A' ' 41' ' ' VAL . 15.0 mt-30 -151.24 104.75 3.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 63.41 110.916 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.46 11.24 31.66 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 64.45 112.485 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.0 -14.03 48.98 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 74.12 112.48 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -139.02 161.06 38.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.377 . . . . 62.52 110.853 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.436 ' HA ' ' HA ' ' A' ' 35' ' ' THR . 8.4 p -58.08 128.34 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 63.31 111.112 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 34' ' ' ILE . 2.0 p -94.48 -27.92 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 44.34 111.165 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.34 153.36 1.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 64.32 110.907 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -95.52 158.18 15.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 72.11 110.883 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.41 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.7 OUTLIER -133.64 145.42 49.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 73.33 110.871 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 56' ' ' SER . 31.1 t -129.27 138.34 54.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 60.54 111.141 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.7 99.55 10.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 72.04 110.902 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.99 94.6 7.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 72.4 110.873 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.726 HD11 ' OH ' ' A' ' 30' ' ' TYR . 16.3 mt -83.91 -3.12 57.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 74.54 110.875 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -85.49 -55.19 4.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 64.21 110.885 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -88.22 -6.12 58.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 41.4 110.852 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.647 HG13 ' HB3' ' A' ' 16' ' ' LEU . 5.5 t 70.75 49.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 71.44 111.115 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -148.51 163.72 36.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 73.31 110.918 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.5 mp -120.75 100.95 7.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 71.22 110.949 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 m -97.37 175.75 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 72.4 111.141 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.4 pm0 -109.69 113.36 26.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 73.52 110.876 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.72 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -168.23 165.23 13.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 73.41 110.835 -179.784 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -122.09 116.5 24.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 71.22 110.872 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.23 166.3 33.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 62.33 110.893 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.74 159.67 0.36 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.448 . . . . 64.14 111.083 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.633 ' HB1' ' HA ' ' A' ' 30' ' ' TYR . . . -168.73 140.21 2.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 60.25 111.098 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -63.96 -14.99 58.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 63.55 110.862 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -147.08 124.18 11.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 60.23 111.114 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 41.8 m -100.09 128.95 46.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 73.24 111.138 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.67 139.16 52.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 42.2 110.944 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.711 HG22 ' O ' ' A' ' 91' ' ' GLU . 1.2 t -138.15 136.03 36.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.43 . . . . 74.44 111.137 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.513 ' HG3' ' HG2' ' A' ' 90' ' ' MET . 0.0 OUTLIER -157.07 142.67 17.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.879 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -76.1 159.76 30.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 74.44 110.865 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.98 -59.18 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 75.34 110.879 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -53.09 -37.83 62.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 74.02 110.813 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.8 mm -65.54 -46.09 90.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 73.31 111.14 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.55 ' HG3' HG11 ' A' ' 8' ' ' VAL . 62.6 tpp -51.11 -44.55 61.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 75.0 110.907 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.607 ' HA ' HG21 ' A' ' 8' ' ' VAL . 56.1 t80 -66.97 -30.92 71.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 63.32 110.907 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.73 -59.33 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.067 -0.515 . . . . 72.11 111.148 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 57.2 mt -66.28 -45.54 89.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 62.02 111.158 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.29 -39.67 51.7 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 54.01 112.559 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 46.0 p -93.03 8.67 38.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 74.33 111.125 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.53 24.0 51.1 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.796 -0.716 . . . . 72.34 112.493 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.4 -39.28 81.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 51.42 111.127 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.5 mt -121.15 152.75 57.45 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.627 0.727 . . . . 75.14 110.901 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 126.47 13.37 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.676 2.25 . . . . 72.45 112.351 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.456 ' HB1' ' HE1' ' A' ' 85' ' ' MET . . . -63.45 -28.37 69.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 35.22 111.083 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -71.15 -57.0 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 64.02 110.905 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.45 -43.9 93.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 73.2 110.834 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.93 -52.35 43.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 63.32 111.161 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.456 ' HE1' ' HB1' ' A' ' 81' ' ' ALA . 6.1 mtt -75.23 -26.65 59.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 72.33 110.9 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.75 -33.88 70.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 44.2 111.054 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -87.45 27.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 63.45 110.933 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 46.56 29.57 0.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.858 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.43 ' O ' ' HG3' ' A' ' 90' ' ' MET . 3.0 mttt -90.05 3.43 53.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 64.21 110.919 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.513 ' HG2' ' HG3' ' A' ' 66' ' ' MET . 3.5 mtm -154.58 147.09 24.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 63.1 110.858 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.711 ' O ' HG22 ' A' ' 65' ' ' THR . 5.4 mm-40 -116.59 108.43 15.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 65.45 110.87 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.7 p -124.85 137.67 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 74.54 111.163 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -132.44 112.64 12.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.888 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.47 167.66 27.47 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.712 -0.756 . . . . 62.44 112.509 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.64 118.09 3.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.846 0.355 . . . . 74.11 110.915 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 83.7 t -42.55 -44.17 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 73.33 111.116 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.86 -50.07 75.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 74.25 110.892 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.701 HD22 ' CD2' ' A' ' 28' ' ' HIS . 75.0 mt -48.1 -54.07 14.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 75.13 110.91 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.1 pt -71.51 -23.39 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 70.21 111.103 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -75.32 -14.15 60.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 72.33 110.819 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.63 -34.13 60.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 65.23 110.892 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.501 HD23 ' HA1' ' A' ' 200' ' ' PLM . 7.6 mp -85.77 -7.33 58.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 74.32 110.913 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.635 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 15.7 mt-10 -64.88 -52.42 50.1 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.655 0.74 . . . . 63.23 110.894 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.9 Cg_endo -69.69 -8.35 23.38 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.708 2.272 . . . . 73.13 112.381 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -97.41 -17.37 19.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 74.43 110.853 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.633 HD11 ' HE1' ' A' ' 200' ' ' PLM . 21.8 mt -53.64 -48.22 60.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 75.54 111.122 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.98 -37.65 71.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.481 . . . . 64.22 111.055 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.16 -26.31 6.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 64.31 110.858 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.433 HD11 HG12 ' A' ' 12' ' ' ILE . 7.7 mt -82.95 171.17 14.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 61.52 110.871 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.7 mttm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 61.55 110.887 179.834 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' PLM . . . . . 0.732 ' H62' HD21 ' A' ' 16' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 ptp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.724 0.297 . . . . 63.32 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.32 134.97 34.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 54.23 110.871 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.1 mt -81.03 176.94 9.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 75.02 110.935 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.6 mmpt? -70.59 -60.84 2.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 74.23 110.886 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.48 -32.62 1.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 54.53 110.913 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -54.03 -49.84 68.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.495 . . . . 71.01 110.924 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -52.67 -38.14 59.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 65.44 110.933 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.685 HG11 ' HG3' ' A' ' 71' ' ' MET . 67.3 t -50.81 -61.47 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 74.3 111.141 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -49.94 -47.83 52.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 72.03 110.858 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.29 91.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 71.4 111.134 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.4 ' HB2' HD23 ' A' ' 109' ' ' LEU . 8.7 mmpt? -57.0 -52.57 64.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 75.32 110.904 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.769 HG23 ' H82' ' A' ' 200' ' ' PLM . 67.3 mt -53.85 -58.2 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 74.53 111.131 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.27 -51.61 43.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 65.53 111.132 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -55.48 -32.43 62.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 74.23 110.919 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.95 -35.48 72.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 74.55 110.818 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.653 ' HB3' HD12 ' A' ' 19' ' ' ILE . 6.6 mt -66.37 -19.87 65.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 71.15 110.896 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -54.81 -23.82 19.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 73.03 110.832 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.36 -23.99 34.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 62.03 110.9 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.751 HG23 ' CZ ' ' A' ' 24' ' ' ARG . 84.1 mt -49.29 104.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 72.51 111.101 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.08 143.19 27.48 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.596 0.712 . . . . 72.22 110.856 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -13.89 35.14 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.683 2.255 . . . . 73.52 112.285 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.32 -8.44 56.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 74.4 111.095 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -171.69 103.79 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 71.22 110.897 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.751 ' CZ ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -122.74 173.91 7.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 73.04 110.857 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -123.32 -55.87 1.74 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 73.4 110.887 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.647 HG11 HD23 ' A' ' 98' ' ' LEU . 30.8 t -153.1 115.44 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 62.44 111.126 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -108.08 125.24 51.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.146 -0.479 . . . . 64.43 110.839 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -170.36 175.54 4.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.067 -0.515 . . . . 70.02 110.916 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.1 t -93.14 134.13 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 54.23 111.072 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -123.98 141.77 51.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 71.04 110.939 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -106.94 137.94 44.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 74.42 110.876 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -129.01 117.97 21.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 73.13 110.917 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.523 ' CB ' HG23 ' A' ' 65' ' ' THR . 0.0 OUTLIER -97.81 135.36 39.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 75.14 110.854 -179.889 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.4 HD12 ' HE3' ' A' ' 71' ' ' MET . 20.4 mm -112.29 90.73 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 73.2 111.071 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.763 HG22 HG22 ' A' ' 40' ' ' VAL . 11.0 p -99.62 169.6 9.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 73.35 111.187 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -135.25 98.66 4.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 63.41 110.931 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.2 -46.2 2.23 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.744 -0.741 . . . . 64.45 112.448 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 178.46 -30.08 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.793 -0.718 . . . . 74.12 112.513 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.02 140.95 30.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 62.52 110.88 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.763 HG22 HG22 ' A' ' 35' ' ' THR . 58.8 t -73.48 141.32 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 63.31 111.189 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.2 m -120.28 -26.45 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 44.34 111.096 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.73 146.73 14.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 64.32 110.862 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.14 156.28 17.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 72.11 110.859 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.436 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -141.87 149.84 40.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 73.33 110.883 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.643 HG23 ' CG2' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -129.44 142.42 43.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 60.54 111.135 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.452 ' SD ' HD21 ' A' ' 53' ' ' LEU . 1.1 tpp -100.26 106.63 18.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 72.04 110.877 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.38 84.61 6.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 72.4 110.88 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.21 -13.55 60.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 74.54 110.988 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.25 -51.29 8.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 64.21 110.877 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -85.19 -6.43 59.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 41.4 110.887 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.454 HG12 ' HB2' ' A' ' 16' ' ' LEU . 3.1 t 67.64 43.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 71.44 111.126 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.23 168.16 24.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 73.31 110.868 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.452 HD21 ' SD ' ' A' ' 46' ' ' MET . 4.8 mp -118.78 136.58 53.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 71.22 110.934 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.643 ' CG2' HG23 ' A' ' 45' ' ' VAL . 3.1 m -136.86 165.85 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 72.4 111.158 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.436 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.2 pm0 -99.5 106.46 18.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 73.52 110.921 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.407 ' N ' HG22 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -167.72 163.6 14.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 73.41 110.873 -179.807 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.93 117.29 23.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 71.22 110.897 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.485 ' OD2' HG11 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -146.01 161.92 39.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 62.33 110.849 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.72 91.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 64.14 111.144 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.03 150.16 20.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 60.25 111.07 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -22.32 66.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 63.55 110.915 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.7 124.1 18.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 60.23 111.091 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.5 m -102.92 127.86 49.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 73.24 111.084 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.654 HD21 HG22 ' A' ' 99' ' ' ILE . 1.1 mp -124.21 108.64 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 42.2 110.936 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.523 HG23 ' CB ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -102.9 129.73 49.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 74.44 111.161 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.786 ' HG2' HG21 ' A' ' 70' ' ' ILE . 3.5 mtm -156.97 157.45 34.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 74.32 110.902 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -86.78 157.99 19.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 74.44 110.879 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.63 -56.37 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 75.34 110.862 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.79 -41.38 57.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 74.02 110.879 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.786 HG21 ' HG2' ' A' ' 66' ' ' MET . 15.1 mm -62.08 -41.78 92.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 73.31 111.135 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.685 ' HG3' HG11 ' A' ' 8' ' ' VAL . 3.1 tpp -51.74 -44.12 63.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.204 -0.453 . . . . 75.0 110.922 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.658 ' O ' HG22 ' A' ' 76' ' ' THR . 41.0 t80 -70.38 -30.47 67.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 63.32 110.903 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.06 -59.97 2.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.11 -0.495 . . . . 72.11 111.116 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.2 mt -72.02 -35.58 54.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 62.02 111.109 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.424 ' O ' HD22 ' A' ' 109' ' ' LEU . . . -48.74 -41.64 27.46 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.655 -0.783 . . . . 54.01 112.555 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.658 HG22 ' O ' ' A' ' 72' ' ' PHE . 3.8 t -101.47 7.57 42.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.343 . . . . 74.33 111.154 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.79 34.05 88.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 72.34 112.521 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.57 -41.51 54.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.331 . . . . 51.42 111.063 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.3 mt -115.19 157.75 42.89 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.643 0.735 . . . . 75.14 110.855 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.69 106.78 1.71 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.691 2.261 . . . . 72.45 112.406 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.48 ' HB1' ' HE3' ' A' ' 85' ' ' MET . . . -56.05 -28.77 58.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 35.22 111.096 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -49.77 42.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 64.02 110.864 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.32 -44.39 95.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 73.2 110.893 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.62 -52.29 48.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 63.32 111.115 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.48 ' HE3' ' HB1' ' A' ' 81' ' ' ALA . 7.9 mtt -74.61 -26.62 60.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.827 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.87 -29.69 70.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 44.2 111.108 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -88.06 28.18 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 63.45 110.878 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 47.27 28.3 1.01 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.431 . . . . 74.43 110.816 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.91 1.66 56.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 64.21 110.83 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.9 mtm -152.25 147.73 26.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 63.1 110.853 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -121.43 108.48 13.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 65.45 110.903 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 63.6 t -121.05 139.62 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 74.54 111.159 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -132.86 113.4 12.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 71.33 110.881 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.93 167.93 28.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 62.44 112.454 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.494 ' CB ' HD12 ' A' ' 98' ' ' LEU . 13.2 tp60 -54.48 116.51 2.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 74.11 110.869 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 64.5 t -42.93 -46.98 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 73.33 111.094 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -57.8 -49.83 75.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 74.25 110.874 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.647 HD23 HG11 ' A' ' 26' ' ' VAL . 65.1 mt -48.46 -54.12 15.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 75.13 110.944 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.654 HG22 HD21 ' A' ' 64' ' ' LEU . 46.2 pt -71.06 -26.11 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 70.21 111.083 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -76.11 -15.84 60.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 72.33 110.847 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.562 HD13 ' HB ' ' A' ' 26' ' ' VAL . 13.9 mt -75.76 -33.54 60.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 65.23 110.915 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.579 HD23 ' HA1' ' A' ' 200' ' ' PLM . 6.3 mp -83.1 -11.32 58.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 74.32 110.926 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.717 ' HA ' HD12 ' A' ' 106' ' ' ILE . 17.5 mt-10 -60.84 -53.48 63.71 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.645 0.736 . . . . 63.23 110.854 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 54.7 Cg_endo -69.72 -10.16 27.9 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.664 2.242 . . . . 73.13 112.403 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -96.85 -16.2 20.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 74.43 110.894 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.774 HD11 ' HE1' ' A' ' 200' ' ' PLM . 19.8 mt -57.13 -41.58 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 75.54 111.11 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.34 -39.58 70.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 64.22 111.122 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.1 t -50.99 -28.92 10.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 64.31 110.862 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.676 HD21 ' CG1' ' A' ' 12' ' ' ILE . 7.0 mp -76.57 170.85 15.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 61.52 110.985 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 61.55 110.901 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' PLM . . . . . 0.774 ' HE1' HD11 ' A' ' 106' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mmt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.838 0.351 . . . . 63.32 110.87 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.96 113.52 2.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 54.23 110.912 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.437 ' H ' HD23 ' A' ' 3' ' ' LEU . 0.7 OUTLIER -106.76 178.94 4.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.515 . . . . 75.02 110.874 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -58.85 3.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.912 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.409 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 0.8 OUTLIER -43.81 -30.89 0.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 54.53 110.898 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -53.49 -48.8 68.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.08 -0.509 . . . . 71.01 110.86 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -50.29 -37.59 37.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 65.44 110.905 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.617 HG21 ' HA ' ' A' ' 72' ' ' PHE . 72.7 t -57.97 -60.28 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 74.3 111.1 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -48.73 -49.16 39.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 72.03 110.892 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.15 -41.1 97.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 71.4 111.092 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -61.81 -52.77 62.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 75.32 110.913 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.639 HG23 ' C8 ' ' A' ' 200' ' ' PLM . 54.2 mt -54.26 -49.04 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 74.53 111.097 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.816 ' HA ' HD23 ' A' ' 16' ' ' LEU . . . -63.54 -54.14 40.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 65.53 111.048 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -55.54 -28.16 53.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.867 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.509 ' HG2' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -77.43 -36.38 53.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 74.55 110.948 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.816 HD23 ' HA ' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -71.24 -19.78 62.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 71.15 110.927 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 13' ' ' ALA . 60.7 mt-10 -87.95 -10.22 51.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 73.03 110.876 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 m -74.05 -41.15 62.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 62.03 110.892 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.581 HG22 ' HD2' ' A' ' 24' ' ' ARG . 2.3 mp -47.88 104.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 72.51 111.112 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.56 144.34 72.7 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 121.64 0.733 . . . . 72.22 110.942 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -11.36 30.73 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.241 . . . . 73.52 112.406 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.91 -4.9 54.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 74.4 111.059 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -173.83 104.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 71.22 110.914 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.581 ' HD2' HG22 ' A' ' 19' ' ' ILE . 48.9 mmm-85 -102.94 -170.73 1.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 73.04 110.822 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.85 -78.78 0.6 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 73.4 110.92 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.8 t -137.66 122.26 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 62.44 111.159 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -110.56 126.71 54.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 64.43 110.913 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -167.77 175.58 6.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 70.02 110.828 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.0 t -96.24 124.58 49.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 54.23 111.12 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.595 ' HD1' ' HB3' ' A' ' 62' ' ' ALA . 35.6 m-85 -122.77 155.0 37.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 71.04 110.935 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -120.67 136.31 54.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 74.42 110.86 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.64 119.28 26.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 73.13 110.861 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.544 ' HB2' HG23 ' A' ' 65' ' ' THR . 0.3 OUTLIER -98.42 132.8 43.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 75.14 110.835 -179.831 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.534 ' O ' HG22 ' A' ' 41' ' ' VAL . 33.2 mm -114.73 114.06 45.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 73.2 111.224 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.595 HG22 HG22 ' A' ' 40' ' ' VAL . 57.9 p -111.05 141.04 45.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 73.35 111.041 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.74 99.35 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 63.41 110.969 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 123.53 -7.54 9.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.729 . . . . 64.45 112.477 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.21 -26.79 3.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.781 -0.723 . . . . 74.12 112.454 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.48 161.74 37.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.377 . . . . 62.52 110.835 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.595 HG22 HG22 ' A' ' 35' ' ' THR . 72.6 t -58.68 133.22 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 63.31 111.111 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.534 HG22 ' O ' ' A' ' 34' ' ' ILE . 2.5 m -90.33 -33.74 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 44.34 111.105 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.76 147.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 64.32 110.922 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.0 162.13 17.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 72.11 110.803 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.552 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 1.0 OUTLIER -137.63 149.48 46.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 73.33 110.934 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 56' ' ' SER . 32.3 t -124.2 138.44 53.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 60.54 111.133 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.605 ' HG3' HD21 ' A' ' 53' ' ' LEU . 2.2 ttm -100.35 97.2 7.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 72.04 110.85 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -77.73 78.47 4.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 72.4 110.892 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.513 HD12 ' O1 ' ' A' ' 200' ' ' PLM . 1.0 OUTLIER -74.96 -14.18 60.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 74.54 110.95 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.82 -47.9 15.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 64.21 110.909 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.427 ' C ' HG23 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -90.89 -2.71 57.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 41.4 110.881 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.654 ' C ' HD11 ' A' ' 16' ' ' LEU . 2.8 t 69.2 47.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 71.44 111.094 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.75 168.0 24.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 73.31 110.915 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.745 HD12 ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -131.3 101.57 5.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 71.22 110.929 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 m -102.36 173.27 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 72.4 111.163 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.552 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -106.82 112.75 25.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 73.52 110.837 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.681 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -167.15 166.52 14.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 73.41 110.86 -179.764 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.88 117.61 24.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 71.22 110.879 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.4 162.47 40.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 62.33 110.882 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.99 92.98 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 64.14 111.075 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.51 151.28 19.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 60.25 111.124 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -64.35 -19.78 65.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 63.55 110.928 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.595 ' HB3' ' HD1' ' A' ' 30' ' ' TYR . . . -141.2 124.28 16.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 60.23 111.139 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 83.8 m -104.84 129.45 53.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 73.24 111.137 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.48 113.84 19.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 42.2 110.936 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.544 HG23 ' HB2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -108.55 128.31 54.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 74.44 111.171 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.594 ' HG2' HG21 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -159.78 152.95 21.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.32 110.868 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.445 ' O ' ' HB ' ' A' ' 70' ' ' ILE . 1.9 mm-40 -80.61 163.31 23.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 74.44 110.854 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.499 ' HA ' ' HE3' ' A' ' 71' ' ' MET . 0.4 OUTLIER -55.24 -55.15 34.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 75.34 110.8 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.19 -37.86 72.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 74.02 110.852 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.594 HG21 ' HG2' ' A' ' 66' ' ' MET . 14.4 mm -52.64 -46.58 49.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 73.31 111.168 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.499 ' HE3' ' HA ' ' A' ' 68' ' ' ASP . 4.1 ptp -52.02 -33.8 40.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 75.0 110.911 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.617 ' HA ' HG21 ' A' ' 8' ' ' VAL . 25.4 t80 -71.26 -30.59 66.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 63.32 110.874 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.27 -60.73 2.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 72.11 111.179 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.424 HD11 ' SD ' ' A' ' 90' ' ' MET . 77.5 mt -70.09 -45.35 76.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 62.02 111.166 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -51.11 -41.08 45.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.732 . . . . 54.01 112.503 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 32.8 p -88.69 -5.43 58.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 74.33 111.154 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.75 13.57 82.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.807 -0.711 . . . . 72.34 112.431 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.06 -41.67 79.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 51.42 111.046 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.26 148.63 58.49 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.555 0.693 . . . . 75.14 110.929 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 130.19 18.95 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.655 2.237 . . . . 72.45 112.445 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.433 ' HB1' ' CE ' ' A' ' 85' ' ' MET . . . -61.75 -27.89 69.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 35.22 111.061 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -56.96 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 64.02 110.871 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -44.27 84.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 73.2 110.882 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.79 -52.82 37.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 63.32 111.057 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.433 ' CE ' ' HB1' ' A' ' 81' ' ' ALA . 5.0 mtm -72.77 -26.74 61.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.928 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.43 -33.39 73.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 44.2 111.155 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -85.74 27.88 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 63.45 110.933 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 46.93 28.79 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 74.43 110.856 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -93.07 0.75 57.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 64.21 110.887 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.424 ' SD ' HD11 ' A' ' 74' ' ' ILE . 2.5 mtm -148.55 143.54 26.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 63.1 110.826 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -116.94 108.85 16.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 65.45 110.939 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.9 p -130.15 138.51 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 74.54 111.166 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -131.75 113.56 13.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 71.33 110.858 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.16 167.92 28.58 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.763 -0.732 . . . . 62.44 112.501 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.539 ' CB ' HD12 ' A' ' 98' ' ' LEU . 13.2 tp60 -54.46 119.31 5.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.832 0.348 . . . . 74.11 110.908 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.0 t -42.78 -48.5 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 73.33 111.12 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -58.02 -50.5 73.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 74.25 110.911 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.706 ' HA ' HD12 ' A' ' 101' ' ' LEU . 54.1 mt -48.29 -54.21 14.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.144 -0.48 . . . . 75.13 110.926 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 36.2 pt -71.24 -25.03 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 70.21 111.1 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -72.72 -12.09 60.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 72.33 110.882 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' A' ' 98' ' ' LEU . 6.1 mt -75.73 -35.07 60.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 65.23 110.852 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.587 HD11 ' H61' ' A' ' 200' ' ' PLM . 4.7 mp -85.07 -7.7 58.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.902 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.672 ' HA ' HD12 ' A' ' 106' ' ' ILE . 13.9 mt-10 -63.9 -53.5 48.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.622 0.725 . . . . 63.23 110.803 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.617 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.8 Cg_endo -69.7 -8.43 23.58 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.67 2.247 . . . . 73.13 112.405 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -96.56 -17.1 20.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.945 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.76 HD11 ' HE1' ' A' ' 200' ' ' PLM . 17.4 mt -57.57 -43.37 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.059 -0.519 . . . . 75.54 111.142 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.9 87.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 64.22 111.142 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.1 -24.42 3.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 64.31 110.824 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.509 HD23 ' HG2' ' A' ' 15' ' ' ARG . 13.3 mt -76.33 171.03 15.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 61.52 110.946 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 61.55 110.899 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' PLM . . . . . 0.76 ' HE1' HD11 ' A' ' 106' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.4 ptm . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.793 0.33 . . . . 63.32 110.853 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -114.73 122.42 46.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 54.23 110.784 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.528 HD21 ' OD2' ' A' ' 68' ' ' ASP . 0.3 OUTLIER -57.01 179.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 75.02 110.909 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.57 -34.93 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.876 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.469 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 6.5 p -44.31 -29.62 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 54.53 110.849 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -53.91 -44.13 70.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 71.01 110.905 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -52.85 -36.4 58.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 65.44 110.882 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.636 HG11 ' HG3' ' A' ' 71' ' ' MET . 25.3 t -55.3 -60.5 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 74.3 111.107 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -49.83 -45.08 49.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 72.03 110.885 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.33 92.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 71.4 111.058 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.32 -51.05 70.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 75.32 110.913 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.536 HG23 ' H82' ' A' ' 200' ' ' PLM . 75.9 mt -58.77 -35.53 56.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 74.53 111.193 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.74 ' HA ' HD23 ' A' ' 16' ' ' LEU . . . -71.19 -55.14 8.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 65.53 111.089 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -55.08 -30.23 59.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.23 110.902 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.679 ' HG2' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -78.0 -34.29 50.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 74.55 110.908 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.74 HD23 ' HA ' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -78.84 -30.27 45.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 71.15 110.873 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 13' ' ' ALA . 40.7 mt-10 -64.52 -23.71 67.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 73.03 110.871 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.43 -21.72 59.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 62.03 110.843 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.731 HD13 ' H31' ' A' ' 200' ' ' PLM . 44.5 mt -52.78 104.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 72.51 111.122 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.61 143.47 54.91 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.579 0.704 . . . . 72.22 110.844 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -15.03 36.64 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.715 2.277 . . . . 73.52 112.381 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.96 -5.4 43.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 74.4 111.112 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -170.05 104.47 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 71.22 110.904 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.2 mmm-85 -111.56 -170.06 1.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 73.04 110.839 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -131.11 -85.65 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 73.4 110.896 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.536 HG12 ' CD2' ' A' ' 28' ' ' HIS . 2.8 t -126.11 116.56 46.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 62.44 111.132 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -93.12 126.19 38.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 64.43 110.873 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.672 ' O ' HD13 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -169.87 179.82 3.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 70.02 110.865 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.4 t -132.69 123.23 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 54.23 111.079 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.797 ' HA ' ' HB1' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -125.26 160.94 28.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 71.04 110.905 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -106.07 144.37 32.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 74.42 110.925 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.87 120.38 31.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 73.13 110.903 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.754 ' HB3' HG23 ' A' ' 65' ' ' THR . 0.0 OUTLIER -99.35 130.57 45.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 75.14 110.871 -179.885 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.503 ' O ' HG22 ' A' ' 41' ' ' VAL . 43.2 mm -115.36 90.89 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 73.2 111.051 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 40' ' ' VAL . 3.3 p -83.6 139.46 32.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 73.35 111.122 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.46 ' HB2' HG11 ' A' ' 41' ' ' VAL . 18.5 mt-30 -151.89 110.19 3.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 63.41 110.952 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 105.19 11.95 28.44 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 64.45 112.486 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.59 -18.9 43.33 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.69 -0.767 . . . . 74.12 112.379 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -139.95 161.29 37.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.881 0.372 . . . . 62.52 110.847 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.448 ' HA ' ' HA ' ' A' ' 35' ' ' THR . 90.7 t -57.65 136.25 21.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 63.31 111.106 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 34' ' ' ILE . 12.1 m -113.01 -27.67 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 44.34 111.07 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.6 138.46 1.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 64.32 110.911 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.37 163.31 17.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 72.11 110.942 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.41 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.6 OUTLIER -137.72 145.87 43.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 73.33 110.892 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 56' ' ' SER . 25.6 t -132.94 138.22 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 60.54 111.076 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.05 110.15 22.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 72.04 110.916 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -87.63 91.9 8.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 72.4 110.778 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.765 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 5.8 mp -79.29 -8.09 58.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 74.54 110.956 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -82.48 -54.06 5.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 64.21 110.866 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.463 ' C ' HG23 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -85.93 -4.22 59.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 41.4 110.876 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.664 HG12 HD12 ' A' ' 16' ' ' LEU . 2.0 t 64.47 46.37 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 71.44 111.245 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -149.44 150.0 31.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 73.31 110.914 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.511 HD12 ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -100.54 137.32 39.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 71.22 110.868 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.4 m -139.91 165.31 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 72.4 111.12 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -105.09 112.96 26.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 73.52 110.894 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.832 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -168.61 169.64 10.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 73.41 110.909 -179.766 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.25 114.66 19.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 71.22 110.9 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -156.65 167.94 28.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 62.33 110.878 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.38 157.62 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 64.14 111.122 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.797 ' HB1' ' HA ' ' A' ' 30' ' ' TYR . . . -167.39 140.58 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 60.25 111.167 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -15.58 59.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 63.55 110.899 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.639 ' HB2' HD13 ' A' ' 98' ' ' LEU . . . -147.27 124.88 11.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 60.23 111.092 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 64.7 m -101.82 129.96 48.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 73.24 111.15 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.06 135.82 52.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.47 . . . . 42.2 110.925 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.754 HG23 ' HB3' ' A' ' 33' ' ' ARG . 1.7 m -128.38 131.1 48.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 74.44 111.094 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 34.2 mtt -157.13 147.47 21.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 74.32 110.865 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -85.05 163.09 19.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 74.44 110.867 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.528 ' OD2' HD21 ' A' ' 3' ' ' LEU . 0.4 OUTLIER -49.57 -58.44 5.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 75.34 110.849 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -51.99 -40.97 61.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 74.02 110.859 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' ' 70' ' ' ILE . 16.2 mm -58.99 -38.43 73.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 73.31 111.073 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.636 ' HG3' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -58.92 -42.68 90.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 75.0 110.875 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -71.01 -30.22 66.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 63.32 110.919 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.616 ' HB1' HD21 ' A' ' 79' ' ' LEU . . . -75.84 -59.43 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 72.11 111.032 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 80.0 mt -71.79 -43.49 69.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 62.02 111.172 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.56 -40.92 55.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 54.01 112.473 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 30.7 p -89.4 3.19 53.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.854 0.359 . . . . 74.33 111.132 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.47 26.31 68.0 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 72.34 112.435 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.38 -40.72 77.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 51.42 111.101 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.616 HD21 ' HB1' ' A' ' 73' ' ' ALA . 0.9 OUTLIER -126.61 158.52 67.42 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.646 0.736 . . . . 75.14 110.924 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 125.54 12.3 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.669 2.246 . . . . 72.45 112.394 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.66 -26.91 68.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 35.22 111.088 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -71.1 -56.01 7.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 64.02 110.899 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.45 -42.42 82.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 73.2 110.887 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.25 -51.15 56.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 63.32 111.1 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 7.3 mtm -76.14 -26.98 56.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.907 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.55 -32.51 70.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 44.2 111.113 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -89.92 28.44 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 63.45 110.896 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 48.71 28.16 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 74.43 110.888 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.48 1.01 53.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 64.21 110.92 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -157.2 151.57 25.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 63.1 110.854 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -120.72 108.41 13.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 65.45 110.916 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.0 p -123.32 139.1 51.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.116 -0.493 . . . . 74.54 111.12 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -131.0 112.51 13.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 71.33 110.881 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 165.85 167.45 26.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.83 -0.7 . . . . 62.44 112.491 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.414 ' HB3' ' HG ' ' A' ' 98' ' ' LEU . 0.7 OUTLIER -54.79 117.8 3.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 74.11 110.912 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.0 t -42.64 -41.9 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 73.33 111.201 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.87 -50.22 74.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 74.25 110.908 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.639 HD13 ' HB2' ' A' ' 62' ' ' ALA . 80.7 mt -48.08 -54.63 12.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 75.13 110.864 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.8 pt -71.19 -23.09 22.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 70.21 111.113 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -76.34 -14.26 60.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.272 -0.422 . . . . 72.33 110.906 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.91 -38.01 58.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 65.23 110.93 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.569 HD23 ' HA1' ' A' ' 200' ' ' PLM . 6.7 mp -83.54 -5.92 59.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.969 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.601 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 16.8 mt-10 -65.76 -54.89 25.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.633 0.73 . . . . 63.23 110.852 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.5 Cg_endo -69.68 -8.45 23.63 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.653 2.236 . . . . 73.13 112.311 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -94.93 -16.47 22.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.842 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.725 HD11 ' HE1' ' A' ' 200' ' ' PLM . 13.4 mt -56.59 -38.54 57.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 75.54 111.137 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.5 -40.82 89.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 64.22 111.085 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.1 t -50.92 -33.19 23.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 64.31 110.766 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.679 HD23 ' HG2' ' A' ' 15' ' ' ARG . 13.8 mt -58.51 169.47 0.91 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 61.52 110.901 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 61.55 110.886 179.809 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' PLM . . . . . 0.731 ' H31' HD13 ' A' ' 19' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.8 ttt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.708 0.289 . . . . 63.32 110.857 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 p -92.93 142.34 27.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 54.23 110.823 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 mt -118.32 173.89 6.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 75.02 110.85 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.72 -60.52 3.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 74.23 110.936 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.401 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 5.5 m -45.17 -30.46 1.17 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.224 -0.444 . . . . 54.53 110.913 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -54.06 -50.2 67.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.503 . . . . 71.01 110.824 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.9 -36.42 38.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 65.44 110.871 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.698 HG11 ' HG3' ' A' ' 71' ' ' MET . 89.2 t -56.56 -61.02 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 74.3 111.113 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -48.93 -47.15 43.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 72.03 110.854 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.78 -45.25 93.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 71.4 111.148 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -56.5 -51.31 68.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 75.32 110.956 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.732 HG23 ' H82' ' A' ' 200' ' ' PLM . 61.3 mt -55.43 -56.8 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 74.53 111.121 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.1 -53.03 58.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 65.53 111.154 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -25.82 38.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.869 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -33.27 55.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 74.55 110.856 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.506 ' HB2' HG12 ' A' ' 51' ' ' VAL . 5.7 mt -67.72 -39.11 84.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 71.15 110.932 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -61.6 -18.39 59.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 73.03 110.898 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 t -74.93 -50.83 15.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 62.03 110.881 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.601 HD13 ' H31' ' A' ' 200' ' ' PLM . 2.6 mp -48.33 104.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 72.51 111.094 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.17 144.85 75.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.612 0.72 . . . . 72.22 110.855 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -17.51 37.41 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.636 2.224 . . . . 73.52 112.266 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.87 -5.44 43.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.336 -0.393 . . . . 74.4 111.084 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -164.34 104.21 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 71.22 110.942 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.5 mmm-85 -109.33 -179.33 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 73.04 110.897 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -119.5 -79.87 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 73.4 110.92 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.649 HG12 ' CD2' ' A' ' 28' ' ' HIS . 2.6 t -139.88 112.67 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 62.44 111.08 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -104.03 126.79 51.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 64.43 110.938 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.649 ' CD2' HG12 ' A' ' 26' ' ' VAL . 1.4 p80 -167.64 169.18 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 70.02 110.87 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.2 t -86.86 126.53 40.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 54.23 111.152 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.641 ' CE1' ' HB3' ' A' ' 62' ' ' ALA . 0.9 OUTLIER -112.95 173.06 6.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 71.04 110.944 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -138.29 133.85 33.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 74.42 110.891 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.9 128.01 46.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 73.13 110.894 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -113.16 135.58 53.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 75.14 110.947 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.629 ' O ' HG12 ' A' ' 41' ' ' VAL . 27.8 mm -114.22 105.1 18.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 73.2 111.129 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.514 HG22 ' HA ' ' A' ' 40' ' ' VAL . 6.9 p -100.68 138.58 37.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 73.35 111.177 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.418 ' HG2' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -114.04 98.23 6.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 63.41 110.898 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.57 -61.31 1.47 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.709 -0.758 . . . . 64.45 112.485 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.413 ' H ' ' H ' ' A' ' 39' ' ' LYS . . . -168.63 3.93 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.748 -0.739 . . . . 74.12 112.468 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' H ' ' H ' ' A' ' 38' ' ' GLY . 3.8 mttp -135.85 155.67 49.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.816 0.341 . . . . 62.52 110.919 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.514 ' HA ' HG22 ' A' ' 35' ' ' THR . 14.7 p -65.97 146.55 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 63.31 111.18 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.629 HG12 ' O ' ' A' ' 34' ' ' ILE . 1.4 p -120.62 -20.85 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 44.34 111.118 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.1 165.08 4.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 64.32 110.948 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -112.15 151.45 29.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 72.11 110.883 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -139.89 157.57 45.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 73.33 110.943 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.643 HG13 ' CG2' ' A' ' 54' ' ' VAL . 1.7 p -145.46 138.62 21.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 60.54 111.098 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -98.98 116.36 31.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 72.04 110.906 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -92.22 86.98 5.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 72.4 110.865 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.488 HD12 ' O1 ' ' A' ' 200' ' ' PLM . 1.0 OUTLIER -72.3 -6.21 41.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 74.54 110.893 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.14 -53.99 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 64.21 110.911 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.405 ' C ' HG23 ' A' ' 51' ' ' VAL . 3.3 m120 -83.87 -8.35 59.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 41.4 110.889 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.506 HG12 ' HB2' ' A' ' 16' ' ' LEU . 3.0 t 68.7 41.07 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 71.44 111.065 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.8 ptmt -149.4 156.77 42.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 73.31 110.883 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.5 mp -102.78 139.51 38.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 71.22 110.856 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.643 ' CG2' HG13 ' A' ' 45' ' ' VAL . 3.0 m -136.64 157.83 36.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 72.4 111.091 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.47 101.96 13.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 73.52 110.896 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.87 164.71 14.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 73.41 110.921 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.32 117.54 25.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 71.22 110.83 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -144.12 158.83 43.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 62.33 110.902 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.07 93.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 64.14 111.053 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.78 144.63 27.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 60.25 111.086 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.07 -16.9 62.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 63.55 110.863 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.641 ' HB3' ' CE1' ' A' ' 30' ' ' TYR . . . -144.82 124.36 13.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 60.23 111.119 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.8 m -106.45 130.26 54.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 73.24 111.121 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 mp -128.28 107.07 9.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 42.2 110.923 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 91' ' ' GLU . 1.2 t -98.56 134.5 41.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 74.44 111.17 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.564 ' HG2' HG21 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -159.89 152.27 20.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 74.32 110.824 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -83.74 158.56 21.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 74.44 110.868 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.84 -58.84 3.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 75.34 110.854 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.55 -47.23 63.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 74.02 110.855 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.564 HG21 ' HG2' ' A' ' 66' ' ' MET . 15.0 mm -53.03 -44.95 51.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 73.31 111.084 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.698 ' HG3' HG11 ' A' ' 8' ' ' VAL . 3.0 tpp -50.76 -42.39 57.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 75.0 110.886 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -68.09 -31.05 70.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 63.32 110.858 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.704 ' HB1' ' HG ' ' A' ' 79' ' ' LEU . . . -75.96 -59.49 2.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 72.11 111.083 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 44.7 mt -66.61 -46.27 86.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 62.02 111.113 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.71 ' O ' HD12 ' A' ' 109' ' ' LEU . . . -52.52 -36.89 48.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 54.01 112.46 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 43.4 p -93.83 5.3 52.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.829 0.347 . . . . 74.33 111.139 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.37 32.01 71.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.824 -0.703 . . . . 72.34 112.43 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.37 -39.59 59.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.813 0.34 . . . . 51.42 111.132 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.704 ' HG ' ' HB1' ' A' ' 73' ' ' ALA . 0.8 OUTLIER -125.4 155.72 71.28 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.628 0.727 . . . . 75.14 110.944 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 126.52 13.39 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.665 2.244 . . . . 72.45 112.375 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.546 ' HB1' ' HE3' ' A' ' 85' ' ' MET . . . -64.42 -34.92 79.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 35.22 111.051 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -65.28 -54.76 24.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 64.02 110.934 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.12 -45.36 93.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 73.2 110.886 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.63 -50.08 55.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 63.32 111.047 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.546 ' HE3' ' HB1' ' A' ' 81' ' ' ALA . 8.2 mtt -77.32 -26.7 52.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 72.33 110.861 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.66 -29.27 69.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 44.2 111.137 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -88.22 29.03 0.99 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 63.45 110.908 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.0 t0 46.57 28.16 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 74.43 110.948 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.77 5.16 49.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 64.21 110.91 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.468 ' HG2' ' HG3' ' A' ' 66' ' ' MET . 0.0 OUTLIER -165.82 152.19 9.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 63.1 110.883 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.623 ' O ' HG22 ' A' ' 65' ' ' THR . 1.4 mt-10 -117.25 108.92 16.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 65.45 110.884 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.7 m -115.65 139.94 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 74.54 111.082 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -132.38 113.31 13.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 71.33 110.835 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.75 167.55 27.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.646 -0.788 . . . . 62.44 112.411 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.435 ' HB3' HD23 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -57.03 120.31 7.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 74.11 110.863 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 53.3 t -42.18 -43.35 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 73.33 111.171 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -46.75 72.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.064 -0.516 . . . . 74.25 110.972 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.435 HD23 ' HB3' ' A' ' 95' ' ' GLN . 0.9 OUTLIER -48.78 -54.62 14.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 75.13 110.933 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.404 ' O ' ' CG ' ' A' ' 200' ' ' PLM . 2.8 pp -71.11 -15.59 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 70.21 111.134 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -83.62 -10.65 58.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 72.33 110.874 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.456 ' HG ' HG21 ' A' ' 26' ' ' VAL . 1.4 mm? -75.81 -37.56 59.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 65.23 110.93 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.598 HD23 ' HA1' ' A' ' 200' ' ' PLM . 6.9 mp -84.96 -6.21 59.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.32 110.914 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.628 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 10.9 mt-10 -64.15 -53.35 48.36 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.677 0.751 . . . . 63.23 110.883 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.628 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.6 Cg_endo -69.83 -8.54 23.85 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.675 2.25 . . . . 73.13 112.369 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -96.18 -17.25 20.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 74.43 110.82 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.693 HD11 ' HE1' ' A' ' 200' ' ' PLM . 18.0 mt -54.93 -47.37 76.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 75.54 111.132 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.0 80.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 64.22 111.117 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.1 m -50.95 -30.31 14.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 64.31 110.877 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.71 HD12 ' O ' ' A' ' 75' ' ' GLY . 31.9 mt -63.67 171.43 2.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 61.52 110.934 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 61.55 110.919 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' PLM . . . . . 0.732 ' H82' HG23 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ptt? . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.83 0.348 . . . . 63.32 110.822 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.44 138.07 31.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 54.23 110.825 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.66 173.15 8.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 75.02 110.916 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -59.59 4.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 74.23 110.887 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.71 -32.11 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 54.53 110.879 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -53.62 -50.91 64.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 71.01 110.875 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -52.1 -39.89 60.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 65.44 110.853 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.462 HG21 ' C ' ' A' ' 71' ' ' MET . 66.5 t -52.26 -59.98 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.3 111.165 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -49.65 -45.81 48.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 72.03 110.93 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.54 -44.4 89.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 71.4 111.056 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.681 ' HB2' HD23 ' A' ' 109' ' ' LEU . 6.2 mmtm -64.1 -53.25 52.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 75.32 110.909 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.587 ' CG1' HD21 ' A' ' 109' ' ' LEU . 44.5 mt -56.94 -55.14 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 74.53 111.153 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.58 -53.41 38.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 65.53 111.069 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -54.09 -29.72 45.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.851 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -33.89 65.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 74.55 110.903 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.727 ' HB3' HD12 ' A' ' 19' ' ' ILE . 10.3 mt -65.69 -21.84 66.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 71.15 110.959 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -54.68 -22.95 15.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 73.03 110.838 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 t -85.49 -23.51 27.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 62.03 110.91 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.74 HD11 ' H42' ' A' ' 200' ' ' PLM . 96.3 mt -49.6 104.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 72.51 111.146 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.41 143.38 27.98 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.676 0.751 . . . . 72.22 110.844 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -17.3 37.66 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.721 2.281 . . . . 73.52 112.3 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.5 -5.7 44.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 74.4 111.15 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -169.08 103.33 0.38 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 71.22 110.885 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.71 ' CZ ' HG23 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -130.52 174.68 9.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 73.04 110.932 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -128.02 -59.52 1.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 73.4 110.916 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.689 HG12 ' CD2' ' A' ' 28' ' ' HIS . 4.3 t -145.13 112.0 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 62.44 111.128 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.57 124.58 51.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 64.43 110.853 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.689 ' CD2' HG12 ' A' ' 26' ' ' VAL . 8.9 p80 -171.17 -179.51 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 70.02 110.911 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -86.07 128.04 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 54.23 111.152 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.467 ' O ' HG23 ' A' ' 45' ' ' VAL . 10.6 m-85 -107.72 173.24 6.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 71.04 110.942 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -139.83 130.51 25.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.933 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -127.34 133.0 50.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 73.13 110.81 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.681 ' HB2' HG23 ' A' ' 65' ' ' THR . 7.2 mtt85 -118.09 134.05 55.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 75.14 110.847 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.732 ' O ' HG12 ' A' ' 41' ' ' VAL . 33.6 mm -109.53 93.76 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 73.2 111.108 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.736 HG22 ' HA ' ' A' ' 40' ' ' VAL . 36.2 p -92.37 137.6 32.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 73.35 111.189 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -117.78 98.52 6.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 63.41 110.964 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 105.2 -64.91 0.3 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.814 -0.708 . . . . 64.45 112.473 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.71 6.57 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.882 -0.675 . . . . 74.12 112.596 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -139.98 158.65 43.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.763 0.316 . . . . 62.52 110.886 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.736 ' HA ' HG22 ' A' ' 35' ' ' THR . 21.9 t -70.06 141.62 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 63.31 111.06 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.732 HG12 ' O ' ' A' ' 34' ' ' ILE . 1.3 p -121.21 -18.77 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 44.34 111.133 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -168.05 163.39 13.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 64.32 110.905 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -113.42 152.52 29.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 72.11 110.946 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.41 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -142.33 156.89 45.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 73.33 110.937 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.671 HG13 ' CG2' ' A' ' 54' ' ' VAL . 1.9 p -146.88 138.53 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 60.54 111.155 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -99.54 119.22 37.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 72.04 110.843 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -98.08 95.15 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 72.4 110.873 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.7 mt -79.38 0.69 28.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 74.54 110.892 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.73 -55.52 4.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 64.21 110.907 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -88.6 -7.76 55.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 41.4 110.855 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.5 t 69.02 45.13 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 71.44 111.173 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -149.58 137.51 20.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 73.31 110.888 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.81 139.82 31.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 71.22 110.938 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.671 ' CG2' HG13 ' A' ' 45' ' ' VAL . 3.1 m -138.95 161.13 29.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 72.4 111.13 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -103.09 107.52 18.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 73.52 110.855 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.49 164.46 12.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 73.41 110.855 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -117.73 117.09 28.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.125 -0.489 . . . . 71.22 110.844 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -148.04 157.83 43.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 62.33 110.897 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.64 93.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 64.14 111.036 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.27 146.71 24.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 60.25 111.101 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.58 -21.58 66.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 63.55 110.857 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.34 124.37 15.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 60.23 111.067 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 53.9 m -98.26 128.54 44.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 73.24 111.152 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.04 111.19 16.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 42.2 110.978 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.681 HG23 ' HB2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -109.97 129.55 55.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 74.44 111.129 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.603 ' HG2' HG21 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -159.31 162.33 35.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.9 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -92.38 160.94 14.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 74.44 110.926 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.4 -57.97 5.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.85 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.76 -33.57 23.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 74.02 110.823 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.603 HG21 ' HG2' ' A' ' 66' ' ' MET . 15.1 mm -74.88 -33.32 29.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 73.31 111.108 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.462 ' C ' HG21 ' A' ' 8' ' ' VAL . 8.4 mmt -60.16 -47.98 83.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.484 . . . . 75.0 110.837 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.728 ' O ' HG22 ' A' ' 76' ' ' THR . 83.6 t80 -71.35 -30.39 66.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 63.32 110.906 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.92 -59.38 2.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 72.11 111.094 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 57.8 mt -72.7 -35.36 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 62.02 111.131 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.715 ' O ' HD22 ' A' ' 109' ' ' LEU . . . -50.11 -41.6 38.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 54.01 112.484 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.728 HG22 ' O ' ' A' ' 72' ' ' PHE . 5.2 t -98.79 4.44 47.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.879 0.371 . . . . 74.33 111.192 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.67 31.91 81.44 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.716 -0.754 . . . . 72.34 112.502 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.64 -37.82 87.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 51.42 111.117 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.402 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -123.74 159.4 56.0 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.635 0.731 . . . . 75.14 110.927 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 119.42 6.37 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.705 2.27 . . . . 72.45 112.324 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.668 ' HB1' ' HE1' ' A' ' 85' ' ' MET . . . -62.61 -26.23 68.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 35.22 111.073 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -56.42 6.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.296 -0.411 . . . . 64.02 110.872 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -63.05 -44.38 96.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 73.2 110.92 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.47 ' HB1' ' CE ' ' A' ' 90' ' ' MET . . . -51.52 -51.3 56.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.488 . . . . 63.32 111.153 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.668 ' HE1' ' HB1' ' A' ' 81' ' ' ALA . 5.2 mtt -75.88 -26.64 57.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.852 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.63 -33.22 71.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 44.2 111.093 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -87.95 28.14 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 63.45 110.955 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 47.57 28.56 1.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 74.43 110.914 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.08 6.75 46.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 64.21 110.801 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.47 ' CE ' ' HB1' ' A' ' 84' ' ' ALA . 1.6 mtm -150.4 142.48 24.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 63.1 110.876 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -117.52 108.85 16.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 65.45 110.863 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.4 t -131.41 139.01 51.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 74.54 111.13 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -131.1 113.37 13.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 71.33 110.873 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.88 167.55 27.74 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.717 -0.754 . . . . 62.44 112.441 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.62 119.19 4.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 74.11 110.902 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.9 t -42.75 -44.29 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 73.33 111.1 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.92 -50.37 73.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 74.25 110.93 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.666 HD22 ' NE2' ' A' ' 28' ' ' HIS . 70.1 mt -48.3 -54.33 14.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 75.13 110.919 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 28.9 pt -70.25 -21.77 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 70.21 111.146 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -79.63 -13.9 59.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 72.33 110.824 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.56 -40.89 56.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 65.23 111.005 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.679 HD23 ' HA1' ' A' ' 200' ' ' PLM . 8.5 mp -82.42 -7.05 59.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.93 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.626 ' HA ' HD12 ' A' ' 106' ' ' ILE . 13.4 mt-10 -62.52 -55.31 40.5 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.662 0.744 . . . . 63.23 110.909 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.9 Cg_endo -69.76 -9.08 25.23 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.721 2.28 . . . . 73.13 112.362 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -95.54 -16.97 21.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 74.43 110.879 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.68 HD11 ' HE1' ' A' ' 200' ' ' PLM . 16.2 mt -55.3 -46.16 78.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 75.54 111.14 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.19 -37.99 89.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 64.22 111.073 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.9 -37.89 33.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 64.31 110.904 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.715 HD22 ' O ' ' A' ' 75' ' ' GLY . 10.2 mp -50.88 170.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 61.52 110.985 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 61.55 110.881 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' PLM . . . . . 0.74 ' H42' HD11 ' A' ' 19' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.763 0.316 . . . . 63.32 110.856 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -128.4 132.76 48.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 54.23 110.887 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.1 165.19 16.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 75.02 110.918 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.87 -62.26 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 74.23 110.884 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 p -44.63 -30.88 0.99 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 54.53 110.866 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.22 -50.0 68.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 71.01 110.884 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -53.22 -39.18 63.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 65.44 110.887 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.449 HG11 ' SD ' ' A' ' 71' ' ' MET . 73.3 t -57.46 -57.94 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 74.3 111.134 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -48.7 -44.51 38.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 72.03 110.923 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.18 -49.3 74.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 71.4 111.113 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -51.48 -51.84 51.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 75.32 110.893 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.455 HG23 ' H82' ' A' ' 200' ' ' PLM . 32.3 mt -51.88 -58.91 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.53 111.191 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.74 -49.97 35.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 65.53 111.119 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -43.58 76.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 74.23 110.937 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -58.46 -37.25 75.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 74.55 110.923 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.834 ' HB2' HG13 ' A' ' 51' ' ' VAL . 3.2 mt -61.74 -18.78 61.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 71.15 110.981 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.719 ' HG2' HG11 ' A' ' 51' ' ' VAL . 50.5 mt-10 -80.63 -16.97 52.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 73.03 110.962 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.9 m -74.48 -46.11 41.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 62.03 110.845 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.54 HD11 ' H42' ' A' ' 200' ' ' PLM . 2.4 mp -48.14 104.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 72.51 111.11 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.79 144.07 47.8 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.579 0.704 . . . . 72.22 110.882 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -21.49 33.44 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.676 2.251 . . . . 73.52 112.38 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.92 8.88 21.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 74.4 111.13 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -167.27 104.59 0.54 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 71.22 110.864 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 -109.47 175.26 5.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 73.04 110.928 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -115.34 -79.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 73.4 110.958 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.4 t -142.66 101.73 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 62.44 111.12 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -82.91 126.43 32.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 64.43 110.878 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.515 ' O ' HD13 ' A' ' 48' ' ' LEU . 2.5 m-70 -169.36 170.69 8.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 70.02 110.879 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.458 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 72.6 t -98.62 136.27 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 54.23 111.097 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.761 ' CD1' ' HB3' ' A' ' 62' ' ' ALA . 12.5 m-85 -126.66 166.89 16.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.252 -0.431 . . . . 71.04 110.891 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -139.06 137.88 36.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 74.42 110.869 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.26 150.1 34.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 73.13 110.921 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.753 ' CB ' HG23 ' A' ' 65' ' ' THR . 0.0 OUTLIER -125.22 126.34 45.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 75.14 110.895 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.711 ' O ' HG12 ' A' ' 41' ' ' VAL . 30.1 mm -107.34 92.43 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 73.2 111.196 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.706 HG22 ' HA ' ' A' ' 40' ' ' VAL . 7.9 p -92.98 137.87 31.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 73.35 111.175 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.418 ' HG2' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -110.07 97.61 7.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 63.41 110.965 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.59 -51.6 2.35 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.694 -0.765 . . . . 64.45 112.457 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.03 -20.08 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 74.12 112.494 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.62 141.51 43.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 62.52 110.898 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.706 ' HA ' HG22 ' A' ' 35' ' ' THR . 12.3 p -58.31 147.06 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 63.31 111.071 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.711 HG12 ' O ' ' A' ' 34' ' ' ILE . 1.2 p -123.51 -19.25 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 44.34 111.138 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.13 165.17 3.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 64.32 110.877 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.15 153.22 31.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 72.11 110.872 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.442 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.6 OUTLIER -132.3 149.87 52.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.473 . . . . 73.33 110.94 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 56' ' ' SER . 82.6 t -126.21 138.74 53.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 60.54 111.143 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.479 ' HG3' HD11 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -100.53 97.53 8.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 72.04 110.898 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -83.7 91.92 7.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 72.4 110.919 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.515 HD13 ' O ' ' A' ' 28' ' ' HIS . 6.9 mp -81.92 -3.49 54.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 74.54 110.942 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -86.21 -56.13 3.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 64.21 110.931 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.95 -9.43 51.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 41.4 110.86 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.834 HG13 ' HB2' ' A' ' 16' ' ' LEU . 21.1 t 69.89 48.72 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 71.44 111.103 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -148.1 122.85 9.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 73.31 110.899 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.479 HD11 ' HG3' ' A' ' 46' ' ' MET . 3.3 mp -83.7 100.34 10.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 71.22 110.902 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 m -96.22 175.77 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 72.4 111.11 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.442 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 2.3 pt-20 -109.44 113.44 26.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.483 . . . . 73.52 110.932 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.486 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -166.72 166.23 15.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 73.41 110.843 -179.717 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.27 117.39 25.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.095 -0.502 . . . . 71.22 110.803 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.66 162.82 40.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 62.33 110.832 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.01 90.8 2.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 64.14 111.078 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.458 ' HB1' ' O ' ' A' ' 29' ' ' VAL . . . -91.42 159.48 15.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 60.25 111.123 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.58 -25.82 68.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 63.55 110.93 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.761 ' HB3' ' CD1' ' A' ' 30' ' ' TYR . . . -139.0 124.35 19.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 60.23 111.141 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.594 ' C ' HD13 ' A' ' 64' ' ' LEU . 37.8 m -112.8 123.68 50.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 73.24 111.123 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.594 HD13 ' C ' ' A' ' 63' ' ' THR . 0.3 OUTLIER -114.06 104.58 12.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 42.2 110.91 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.753 HG23 ' CB ' ' A' ' 33' ' ' ARG . 1.8 m -99.22 124.54 44.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.257 -0.429 . . . . 74.44 111.174 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.621 ' HG2' HG21 ' A' ' 70' ' ' ILE . 2.0 mtp -153.47 141.37 20.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 74.32 110.868 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.61 157.09 38.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 74.44 110.862 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.62 -56.66 6.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 75.34 110.816 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.458 ' O ' ' CE2' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -49.87 -33.41 16.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 74.02 110.863 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.621 HG21 ' HG2' ' A' ' 66' ' ' MET . 13.1 mm -83.72 -22.24 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 73.31 111.124 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.449 ' SD ' HG11 ' A' ' 8' ' ' VAL . 29.5 tpp -61.02 -53.04 62.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 75.0 110.902 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.503 ' C ' ' CD1' ' A' ' 72' ' ' PHE . 3.0 p90 -68.07 -29.34 68.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 63.32 110.823 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.67 -60.31 2.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 72.11 111.133 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.481 HG21 ' HE1' ' A' ' 66' ' ' MET . 7.1 mm -59.47 -47.32 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.389 . . . . 62.02 111.128 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.666 ' O ' HD12 ' A' ' 109' ' ' LEU . . . -53.1 -33.85 45.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 54.01 112.433 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 69.2 p -99.25 4.34 46.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 74.33 111.131 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.39 44.06 98.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.741 . . . . 72.34 112.515 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.32 -42.4 9.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 51.42 111.098 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.6 mt -107.32 146.55 33.48 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.625 0.726 . . . . 75.14 110.884 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 114.01 3.57 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.271 . . . . 72.45 112.309 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.473 ' HB1' ' HE1' ' A' ' 85' ' ' MET . . . -57.19 -31.7 65.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 35.22 111.051 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -71.1 -53.05 15.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 64.02 110.927 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.61 -44.91 95.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 73.2 110.885 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.04 -51.6 51.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 63.32 111.09 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.473 ' HE1' ' HB1' ' A' ' 81' ' ' ALA . 6.2 mtt -75.85 -26.84 57.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 72.33 110.863 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.38 -32.63 70.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 44.2 111.142 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -90.16 27.79 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 63.45 110.91 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 46.85 29.47 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.909 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.94 5.45 51.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 64.21 110.868 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -160.14 150.54 18.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 63.1 110.836 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -121.34 107.95 13.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 65.45 110.955 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.9 p -112.85 137.47 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 74.54 111.129 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -130.55 112.26 13.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 71.33 110.871 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.1 167.45 26.77 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 62.44 112.489 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.463 ' HB3' HD23 ' A' ' 98' ' ' LEU . 4.3 tp60 -58.22 125.15 21.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.877 0.37 . . . . 74.11 110.905 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 67.0 t -42.22 -49.11 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 73.33 111.099 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.557 ' O ' HD23 ' A' ' 101' ' ' LEU . 3.9 mt-10 -61.16 -47.21 87.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 74.25 110.94 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.47 HD12 ' HE1' ' A' ' 30' ' ' TYR . 1.4 mm? -47.92 -54.25 13.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 75.13 110.921 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.477 HG22 HD11 ' A' ' 64' ' ' LEU . 33.2 pt -68.73 -25.82 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 70.21 111.098 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -76.16 -16.31 59.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.892 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 97' ' ' GLU . 3.4 mm? -75.72 -31.76 59.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 65.23 110.925 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.461 ' HG ' ' C8 ' ' A' ' 200' ' ' PLM . 5.5 mp -86.19 -8.61 57.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.32 110.98 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.644 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 27.1 mt-10 -63.64 -51.35 66.77 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.695 0.76 . . . . 63.23 110.934 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.644 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.4 Cg_endo -69.79 -10.1 27.7 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.714 2.276 . . . . 73.13 112.34 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -95.59 -17.23 21.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.862 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.697 HD11 ' HE1' ' A' ' 200' ' ' PLM . 24.7 mt -56.0 -44.83 79.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 75.54 111.095 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.65 -41.88 91.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 64.22 111.112 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.83 -27.41 7.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 64.31 110.891 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 75' ' ' GLY . 12.9 mt -73.31 171.17 13.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 61.52 110.926 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 52.2 tttt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 61.55 110.907 179.799 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' PLM . . . . . 0.697 ' HE1' HD11 ' A' ' 106' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.805 0.336 . . . . 63.32 110.817 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 p -95.17 128.65 42.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 54.23 110.847 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.744 ' N ' HD13 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -121.49 151.9 39.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 75.02 110.979 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.5 -42.38 22.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 74.23 110.949 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.466 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 0.9 OUTLIER -44.99 -28.24 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 54.53 110.911 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -54.24 -43.47 70.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 71.01 110.91 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -55.01 -37.2 66.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 65.44 110.852 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.889 HG21 ' HA ' ' A' ' 72' ' ' PHE . 32.5 t -53.81 -61.17 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 74.3 111.107 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.4 ' CD1' ' HE3' ' A' ' 71' ' ' MET . 3.2 m-85 -49.42 -43.34 44.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 72.03 110.903 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.84 92.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 71.4 111.077 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -54.31 -48.55 71.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 75.32 110.876 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.667 HG23 ' H82' ' A' ' 200' ' ' PLM . 46.5 mt -53.78 -50.89 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 74.53 111.148 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.74 -52.71 63.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 65.53 111.08 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -29.52 58.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 74.23 110.803 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -34.69 67.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.29 -0.414 . . . . 74.55 110.886 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.421 ' HB2' HG12 ' A' ' 51' ' ' VAL . 7.1 mt -63.14 -28.62 70.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 71.15 110.908 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -57.18 -24.0 51.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 73.03 110.882 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.51 -25.43 57.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 62.03 110.917 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.416 HD12 ' HB3' ' A' ' 16' ' ' LEU . 31.0 mt -49.47 105.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.515 . . . . 72.51 111.147 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.72 144.56 28.06 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.603 0.716 . . . . 72.22 110.873 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -16.11 37.37 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.725 2.284 . . . . 73.52 112.357 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.15 -4.91 41.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 74.4 111.134 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.66 104.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 71.22 110.853 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.2 mmm-85 -111.23 176.82 4.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 73.04 110.841 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -119.83 -79.88 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 73.4 110.945 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.67 HG21 HD23 ' A' ' 98' ' ' LEU . 6.8 p -141.95 114.19 3.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 62.44 111.123 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.08 125.18 50.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 64.43 110.891 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.61 179.05 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 70.02 110.894 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.9 t -94.45 127.31 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 54.23 111.143 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.588 ' OH ' HD22 ' A' ' 98' ' ' LEU . 23.0 m-85 -117.78 172.53 7.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 71.04 110.961 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -137.77 133.86 34.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 74.42 110.928 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.41 115.68 19.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 73.13 110.911 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.406 ' HB2' HG23 ' A' ' 65' ' ' THR . 0.0 OUTLIER -94.9 133.36 38.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 75.14 110.89 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.7 mm -115.34 135.84 54.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 73.2 111.16 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.6 p -119.12 136.83 53.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 73.35 111.139 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -152.81 98.77 2.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 63.41 110.946 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.88 7.34 17.64 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.717 -0.754 . . . . 64.45 112.483 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.4 -17.51 28.59 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.714 -0.755 . . . . 74.12 112.488 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.07 161.0 38.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 62.52 110.913 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.3 t -53.91 124.8 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 63.31 111.174 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.7 p -86.97 -34.99 8.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 44.34 111.135 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.71 149.54 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 64.32 110.877 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -86.68 162.12 18.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 72.11 110.867 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.488 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.7 OUTLIER -138.25 149.92 46.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.83 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 56' ' ' SER . 28.3 t -124.62 141.06 45.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 60.54 111.113 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.408 ' SD ' HD21 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -100.29 101.55 12.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 72.04 110.908 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.37 80.49 7.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 72.4 110.933 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mp -74.33 -14.3 60.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 74.54 110.89 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -81.72 -51.6 8.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 64.21 110.872 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -85.66 -5.86 59.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 41.4 110.878 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.421 HG12 ' HB2' ' A' ' 16' ' ' LEU . 3.5 t 69.25 46.68 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 71.44 111.128 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -147.91 171.19 16.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 73.31 110.881 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.413 ' CD1' HD11 ' A' ' 16' ' ' LEU . 3.6 mp -131.18 100.74 5.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 71.22 110.891 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -99.43 172.1 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 72.4 111.115 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.488 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.1 pp20? -104.63 110.85 23.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 73.52 110.897 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.702 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -167.07 166.74 15.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 73.41 110.91 -179.793 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.2 117.88 23.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 71.22 110.883 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.52 163.02 38.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 62.33 110.875 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.34 92.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 64.14 111.103 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.49 149.73 20.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 60.25 111.088 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.19 -22.21 66.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 63.55 110.928 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.56 123.79 19.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 60.23 111.068 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.2 m -101.3 125.66 47.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 73.24 111.158 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.542 ' HA ' HG12 ' A' ' 92' ' ' VAL . 1.1 mt -121.01 104.99 10.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 42.2 110.941 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.406 HG23 ' HB2' ' A' ' 33' ' ' ARG . 0.9 OUTLIER -101.89 126.83 48.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 74.44 111.138 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.612 ' HG2' HG21 ' A' ' 70' ' ' ILE . 4.9 mtt -154.13 141.57 19.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 74.32 110.903 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -74.18 154.88 38.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.908 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.96 -55.29 15.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 75.34 110.875 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.403 ' HA ' ' CE2' ' A' ' 72' ' ' PHE . 4.2 m-20 -51.4 -28.95 14.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 74.02 110.826 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.612 HG21 ' HG2' ' A' ' 66' ' ' MET . 14.7 mm -83.45 -22.83 8.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 73.31 111.205 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.473 ' CG ' ' N ' ' A' ' 72' ' ' PHE . 1.2 ptt? -61.75 -46.47 89.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 75.0 110.915 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.889 ' HA ' HG21 ' A' ' 8' ' ' VAL . 2.9 p90 -76.95 -28.55 55.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 63.32 110.917 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.95 -59.44 3.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 72.11 111.121 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 53.8 mt -75.62 -32.86 25.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 62.02 111.112 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.782 ' O ' HD12 ' A' ' 109' ' ' LEU . . . -50.85 -41.42 44.23 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.761 -0.733 . . . . 54.01 112.493 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.732 HG22 ' O ' ' A' ' 72' ' ' PHE . 6.2 t -98.5 12.34 35.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 74.33 111.164 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 58.0 30.03 63.0 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.688 -0.768 . . . . 72.34 112.489 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.02 -40.91 74.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.76 0.314 . . . . 51.42 111.051 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.2 mt -121.38 157.83 55.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.613 0.72 . . . . 75.14 110.912 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 117.44 5.08 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.681 2.254 . . . . 72.45 112.343 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.524 ' O ' ' HE3' ' A' ' 85' ' ' MET . . . -59.56 -38.44 81.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 35.22 111.109 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -62.48 -50.53 71.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 64.02 110.905 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.34 -45.09 95.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 73.2 110.896 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.92 -50.42 57.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.493 . . . . 63.32 111.144 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.524 ' HE3' ' O ' ' A' ' 81' ' ' ALA . 5.9 mtt -76.11 -26.86 56.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.931 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.96 -31.54 71.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 44.2 111.121 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -88.83 28.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 63.45 110.917 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 47.61 27.83 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 74.43 110.866 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.09 3.38 49.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 64.21 110.932 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.401 ' HE1' ' HG3' ' A' ' 85' ' ' MET . 1.1 mpp? -158.76 152.34 23.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 63.1 110.865 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -125.29 108.13 11.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 65.45 110.899 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.542 HG12 ' HA ' ' A' ' 64' ' ' LEU . 6.2 m -121.25 144.32 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 74.54 111.187 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -133.6 112.47 11.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 71.33 110.826 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.61 167.98 28.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.794 -0.717 . . . . 62.44 112.502 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.462 ' HB2' HD12 ' A' ' 98' ' ' LEU . 1.8 tp60 -55.02 115.34 2.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.371 . . . . 74.11 110.914 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.7 t -43.21 -44.42 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 73.33 111.08 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.556 ' O ' HD23 ' A' ' 101' ' ' LEU . 3.8 mt-10 -56.67 -50.1 73.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 74.25 110.891 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.67 HD23 HG21 ' A' ' 26' ' ' VAL . 70.8 mt -48.21 -54.1 14.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 75.13 110.927 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.506 HG22 HD21 ' A' ' 64' ' ' LEU . 34.6 pt -70.71 -24.21 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 70.21 111.096 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -77.33 -15.05 59.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 72.33 110.873 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 97' ' ' GLU . 3.0 mm? -75.15 -32.52 61.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 65.23 110.924 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.545 HD23 ' HA1' ' A' ' 200' ' ' PLM . 6.6 mp -87.13 -7.71 57.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 74.32 110.886 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.644 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 12.7 mt-10 -63.52 -52.11 62.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.685 0.755 . . . . 63.23 110.948 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.644 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 54.6 Cg_endo -69.67 -8.48 23.71 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.763 2.309 . . . . 73.13 112.329 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -97.44 -16.6 20.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 74.43 110.965 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.704 HD11 ' HE1' ' A' ' 200' ' ' PLM . 27.1 mt -55.67 -41.03 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 75.54 111.15 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.08 -40.13 82.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 64.22 111.121 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.1 m -49.66 -34.47 18.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 64.31 110.833 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.782 HD12 ' O ' ' A' ' 75' ' ' GLY . 10.3 mt -52.04 167.18 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 61.52 110.893 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 61.55 110.879 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' PLM . . . . . 0.704 ' HE1' HD11 ' A' ' 106' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mmt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.8 0.333 . . . . 63.32 110.869 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.08 152.59 29.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 54.23 110.898 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.54 HD13 ' OD2' ' A' ' 68' ' ' ASP . 0.6 OUTLIER -93.01 133.18 36.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 75.02 110.937 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.99 -34.14 1.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.91 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.403 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 4.3 m -45.76 -27.03 0.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 54.53 110.894 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -53.71 -47.76 70.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 71.01 110.845 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.26 -38.12 57.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 65.44 110.88 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.572 HG21 ' C ' ' A' ' 71' ' ' MET . 77.6 t -55.05 -58.22 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 74.3 111.221 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -51.57 -43.28 62.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.504 . . . . 72.03 110.881 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.66 -44.19 87.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 71.4 111.133 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -58.09 -51.41 69.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 75.32 110.897 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.719 HG23 ' C8 ' ' A' ' 200' ' ' PLM . 70.5 mt -54.75 -54.14 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 74.53 111.117 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.864 ' HA ' HD23 ' A' ' 16' ' ' LEU . . . -57.1 -55.52 33.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 65.53 111.173 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -57.51 -30.96 65.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 74.23 110.855 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.678 ' HG3' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -77.28 -37.32 53.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 74.55 110.801 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.864 HD23 ' HA ' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -69.98 -20.61 63.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 71.15 110.886 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.553 ' HG2' HG12 ' A' ' 51' ' ' VAL . 34.6 mt-10 -64.93 -13.93 58.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 73.03 110.907 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.24 -17.4 60.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 62.03 110.859 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.568 HD12 HD12 ' A' ' 16' ' ' LEU . 44.9 mt -46.15 137.27 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 72.51 111.142 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.3 143.8 31.06 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.612 0.72 . . . . 72.22 110.879 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -7.64 21.57 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.716 2.278 . . . . 73.52 112.318 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.69 -4.3 58.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 74.4 111.093 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.69 107.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 71.22 110.857 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.409 ' NE ' HG21 ' A' ' 19' ' ' ILE . 43.6 mmm-85 -102.13 176.45 5.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 73.04 110.86 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.522 ' HG3' HD22 ' A' ' 101' ' ' LEU . 2.6 tp60 -110.07 -48.51 3.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 73.4 110.923 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.477 ' HB ' ' O ' ' A' ' 25' ' ' GLN . 7.8 p 175.76 127.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 62.44 111.177 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -99.34 123.63 43.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 64.43 110.904 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.09 179.34 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 70.02 110.839 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.3 t -103.93 132.83 49.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 54.23 111.122 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.41 ' HB2' ' HB2' ' A' ' 46' ' ' MET . 51.7 m-85 -116.98 169.25 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 71.04 110.936 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -138.38 132.23 31.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 74.42 110.869 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' TRP . 0.3 OUTLIER -127.86 115.3 18.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.905 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.666 ' HB3' HG23 ' A' ' 65' ' ' THR . 0.0 OUTLIER -96.75 133.69 40.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 75.14 110.852 -179.868 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.1 mm -115.34 112.52 40.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 73.2 111.187 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.614 HG22 ' HA ' ' A' ' 40' ' ' VAL . 16.6 p -111.45 138.74 47.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 73.35 111.148 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.45 98.22 8.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 63.41 110.856 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.84 -52.17 4.68 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.731 . . . . 64.45 112.467 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.01 -28.61 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.649 -0.786 . . . . 74.12 112.44 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -97.71 161.7 13.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 62.52 110.864 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.614 ' HA ' HG22 ' A' ' 35' ' ' THR . 39.3 t -82.39 119.48 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 63.31 111.056 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.8 p -86.35 -35.61 9.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.134 -0.485 . . . . 44.34 111.19 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.46 150.23 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 64.32 110.878 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -90.68 165.49 13.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 72.11 110.889 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.489 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.8 OUTLIER -140.77 142.94 34.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.188 -0.46 . . . . 73.33 110.961 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 56' ' ' SER . 71.1 t -124.36 141.56 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 60.54 111.127 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.481 ' SD ' HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -101.93 100.08 10.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 72.04 110.871 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.34 85.12 6.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 72.4 110.909 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.3 mp -75.97 -7.95 55.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 74.54 110.894 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -84.66 -55.92 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 64.21 110.904 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -83.86 -5.69 59.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 41.4 110.89 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.696 HG13 HD11 ' A' ' 16' ' ' LEU . 11.4 t 69.53 47.98 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 71.44 111.104 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -148.47 166.17 28.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 73.31 110.936 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.554 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -124.64 100.49 6.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 71.22 110.912 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 m -97.58 176.91 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 72.4 111.112 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.489 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.5 pt-20 -109.96 114.23 27.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 73.52 110.866 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.569 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -167.52 167.38 13.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 73.41 110.828 -179.772 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -125.59 117.49 23.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 71.22 110.896 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.32 163.13 39.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 62.33 110.826 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.77 92.4 1.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 64.14 111.11 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.26 159.15 15.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 60.25 111.064 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -23.45 67.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 63.55 110.914 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.1 123.56 18.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 60.23 111.102 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 74.9 m -102.09 126.2 48.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 73.24 111.204 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.27 105.03 9.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 42.2 110.901 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.666 HG23 ' HB3' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -99.87 127.4 46.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 74.44 111.122 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -153.83 141.5 19.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.865 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -76.95 155.7 32.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 74.44 110.85 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.54 ' OD2' HD13 ' A' ' 3' ' ' LEU . 0.3 OUTLIER -48.16 -53.13 17.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 75.34 110.812 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.424 ' HA ' ' CE2' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -50.57 -34.19 24.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 74.02 110.801 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.402 HD13 ' HA ' ' A' ' 70' ' ' ILE . 15.3 mm -77.95 -22.63 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 73.31 111.092 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.572 ' C ' HG21 ' A' ' 8' ' ' VAL . 3.1 tpp -63.26 -51.13 67.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 75.0 110.886 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.495 ' C ' ' CD1' ' A' ' 72' ' ' PHE . 2.6 p90 -71.63 -29.18 64.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 63.32 110.878 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.36 -59.95 2.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 72.11 111.04 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.1 mt -70.61 -43.38 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 62.02 111.182 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -53.18 -37.99 55.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.747 . . . . 54.01 112.528 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.4 p -93.39 5.86 50.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.822 0.344 . . . . 74.33 111.16 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.49 28.09 64.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 72.34 112.507 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.22 -39.91 65.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 51.42 111.094 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 60.6 mt -120.85 153.53 57.19 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.584 0.707 . . . . 75.14 110.922 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 125.85 12.61 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.735 2.29 . . . . 72.45 112.295 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.536 ' HB1' ' HE1' ' A' ' 85' ' ' MET . . . -63.77 -28.95 70.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 35.22 111.103 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -56.16 6.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 64.02 110.888 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.62 -44.35 96.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 73.2 110.875 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.81 -52.01 45.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 63.32 111.129 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.536 ' HE1' ' HB1' ' A' ' 81' ' ' ALA . 7.6 mtm -75.79 -26.29 57.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 72.33 110.881 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.35 -33.32 71.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 44.2 111.083 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -85.92 28.0 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 63.45 110.935 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 t70 47.02 28.38 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 74.43 110.82 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -92.25 2.23 56.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 64.21 110.91 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.8 mtm -150.24 146.34 26.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 63.1 110.873 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -122.11 108.55 13.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 65.45 110.83 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.7 p -123.04 141.18 44.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 74.54 111.098 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -132.5 112.81 12.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 71.33 110.811 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.04 168.18 28.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.805 -0.712 . . . . 62.44 112.544 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -54.64 117.78 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 74.11 110.878 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 84.3 t -43.32 -48.47 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 73.33 111.146 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -51.0 69.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 74.25 110.912 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 40.1 mt -48.34 -54.16 14.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 75.13 110.928 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 36.2 pt -70.44 -22.91 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 70.21 111.047 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -78.23 -14.48 59.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 72.33 110.953 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.522 HD22 ' HG3' ' A' ' 25' ' ' GLN . 40.7 mt -75.05 -36.33 61.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 65.23 110.909 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.759 HD23 ' HA1' ' A' ' 200' ' ' PLM . 11.1 mp -86.55 -4.98 59.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 74.32 110.92 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.643 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 8.2 mt-10 -64.64 -52.52 51.09 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.65 0.738 . . . . 63.23 110.823 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.643 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.8 Cg_endo -69.78 -7.66 21.63 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.687 2.258 . . . . 73.13 112.331 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -97.72 -17.19 19.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 74.43 110.879 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.607 HD11 ' HE1' ' A' ' 200' ' ' PLM . 27.5 mt -50.98 -38.85 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 75.54 111.139 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.65 -39.59 93.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 64.22 111.08 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -50.82 -32.71 20.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 64.31 110.897 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.678 HD23 ' HG3' ' A' ' 15' ' ' ARG . 6.7 mt -66.65 171.86 4.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.038 -0.528 . . . . 61.52 110.936 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 13.8 tttm . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 61.55 110.887 179.754 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' PLM . . . . . 0.759 ' HA1' HD23 ' A' ' 102' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 mmt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.763 0.316 . . . . 63.32 110.853 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.82 129.42 36.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 54.23 110.844 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.94 165.74 8.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 75.02 110.917 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -58.08 9.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 74.23 110.891 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.4 p -45.58 -29.5 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 54.53 110.861 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -54.08 -50.55 66.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.073 -0.512 . . . . 71.01 110.847 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -54.79 -40.34 69.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 65.44 110.852 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.565 HG21 ' C ' ' A' ' 71' ' ' MET . 48.1 t -56.71 -58.08 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 74.3 111.127 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -48.89 -42.41 36.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 72.03 110.875 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.9 -47.82 83.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 71.4 111.154 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 6.7 mmpt? -56.14 -49.94 72.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 75.32 110.854 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.729 HG23 ' H82' ' A' ' 200' ' ' PLM . 57.7 mt -54.28 -47.53 68.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 74.53 111.128 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.428 ' HA ' ' HG ' ' A' ' 16' ' ' LEU . . . -66.41 -53.57 34.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 65.53 111.04 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -54.32 -26.18 28.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.279 -0.419 . . . . 74.23 110.88 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -32.88 59.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 74.55 110.92 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.476 ' HB3' HD12 ' A' ' 19' ' ' ILE . 8.3 mt -64.67 -28.72 69.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 71.15 110.909 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -55.46 -23.01 23.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 73.03 110.893 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.4 -28.56 52.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 62.03 110.912 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.488 HD11 ' H42' ' A' ' 200' ' ' PLM . 40.6 mt -50.64 104.82 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 72.51 111.115 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.63 151.54 40.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.529 0.681 . . . . 72.22 110.949 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -29.16 23.95 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.709 2.273 . . . . 73.52 112.279 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.84 -4.03 35.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 74.4 111.049 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -164.19 104.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.324 -0.398 . . . . 71.22 110.916 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.5 mmm-85 -111.03 -169.54 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 73.04 110.904 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.77 ' O ' HG12 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -163.93 83.47 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 73.4 110.891 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.77 HG12 ' O ' ' A' ' 25' ' ' GLN . 1.0 OUTLIER 52.25 137.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 62.44 111.172 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.68 127.04 14.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 64.43 110.933 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.608 ' O ' HD13 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -161.21 176.81 10.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 70.02 110.867 -179.895 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.4 t -86.86 124.15 40.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 54.23 111.167 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.432 ' CD2' HD11 ' A' ' 48' ' ' LEU . 12.4 m-85 -109.79 171.11 7.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 71.04 110.883 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.611 ' HB2' ' HB3' ' A' ' 60' ' ' ALA . 0.2 OUTLIER -131.45 133.3 45.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.115 -0.493 . . . . 74.42 110.892 179.902 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.4 116.08 17.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 73.13 110.877 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.513 ' CB ' HG23 ' A' ' 65' ' ' THR . 1.1 mtt180 -104.73 136.09 44.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 75.14 110.902 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.597 ' O ' HG22 ' A' ' 41' ' ' VAL . 20.6 mm -111.43 90.38 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 73.2 111.124 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.689 HG22 ' HA ' ' A' ' 40' ' ' VAL . 30.1 p -102.31 154.58 18.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 73.35 111.108 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -125.29 97.91 5.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 63.41 110.909 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.5 -46.84 1.77 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 64.45 112.544 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -177.45 -29.81 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.7 -0.762 . . . . 74.12 112.442 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.49 148.82 24.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 62.52 110.912 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.689 ' HA ' HG22 ' A' ' 35' ' ' THR . 9.5 p -80.4 151.04 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 63.31 111.186 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 34' ' ' ILE . 20.6 m -125.19 -20.13 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 44.34 111.176 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.99 156.56 22.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 64.32 110.87 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -108.0 157.74 17.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 72.11 110.862 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.461 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -144.62 142.13 29.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 73.33 110.984 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 56' ' ' SER . 30.0 t -129.66 141.57 46.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 60.54 111.111 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.408 ' SD ' HD21 ' A' ' 53' ' ' LEU . 1.7 tpp -101.82 109.71 21.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 72.04 110.893 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.17 86.89 7.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 72.4 110.904 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.608 HD13 ' O ' ' A' ' 28' ' ' HIS . 2.7 mp -76.47 -9.35 58.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 74.54 110.889 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -83.15 -54.03 5.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 64.21 110.9 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.43 -5.79 59.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 41.4 110.857 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.1 t 67.46 44.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 71.44 111.177 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -148.67 166.94 26.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 73.31 110.886 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.408 HD21 ' SD ' ' A' ' 46' ' ' MET . 4.2 mp -116.9 139.05 51.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 71.22 110.94 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.2 m -137.06 163.3 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 72.4 111.102 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.461 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 0.6 OUTLIER -98.12 106.89 19.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 73.52 110.928 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.809 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -166.97 166.3 15.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 73.41 110.873 -179.779 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.23 118.34 23.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 71.22 110.817 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.504 ' OD2' HG21 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -147.73 163.21 37.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 62.33 110.893 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.67 92.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 64.14 111.097 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.611 ' HB3' ' HB2' ' A' ' 31' ' ' LYS . . . -94.33 155.96 16.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 60.25 111.149 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -63.88 -17.06 62.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 63.55 110.927 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.558 ' HB2' HD13 ' A' ' 98' ' ' LEU . . . -146.51 124.53 12.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 60.23 111.129 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.463 HG23 ' HE2' ' A' ' 31' ' ' LYS . 44.6 m -100.23 128.17 46.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 73.24 111.14 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.666 ' HA ' HG12 ' A' ' 92' ' ' VAL . 0.8 OUTLIER -125.44 104.88 8.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 42.2 110.841 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.513 HG23 ' CB ' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -98.42 131.28 44.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 74.44 111.195 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.715 ' HG2' HG21 ' A' ' 70' ' ' ILE . 6.3 mtt -158.01 159.53 36.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 74.32 110.833 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.409 ' O ' ' HB ' ' A' ' 70' ' ' ILE . 50.0 mt-10 -92.19 158.43 16.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 74.44 110.91 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.07 -56.32 15.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.848 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.9 -36.83 63.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 74.02 110.864 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.715 HG21 ' HG2' ' A' ' 66' ' ' MET . 13.4 mm -61.78 -43.32 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 73.31 111.146 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.565 ' C ' HG21 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -50.94 -39.24 54.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 75.0 110.819 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -70.06 -31.52 69.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 63.32 110.828 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.36 -59.33 2.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 72.11 111.084 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 81.5 mt -70.31 -46.15 72.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.271 -0.422 . . . . 62.02 111.097 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.53 -37.22 32.71 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 54.01 112.508 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 59.9 p -90.36 -13.05 35.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.828 0.347 . . . . 74.33 111.099 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.86 27.24 54.15 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.673 -0.775 . . . . 72.34 112.516 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.67 -40.08 66.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.783 0.325 . . . . 51.42 111.086 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.8 mt -120.69 151.76 54.79 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.592 0.71 . . . . 75.14 110.904 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 129.28 17.37 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.631 2.221 . . . . 72.45 112.358 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.4 ' HB1' ' HE3' ' A' ' 85' ' ' MET . . . -65.61 -28.52 69.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 35.22 111.104 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.18 -56.87 5.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 64.02 110.887 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.54 -44.23 96.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 73.2 110.9 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.03 -51.04 57.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 63.32 111.099 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.4 ' HE3' ' HB1' ' A' ' 81' ' ' ALA . 3.1 mtt -76.22 -26.49 56.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 72.33 110.872 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.08 -32.84 71.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 44.2 111.145 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -89.9 28.3 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 63.45 110.902 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.1 t0 47.44 27.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.886 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.07 3.03 44.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 64.21 110.88 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.06 149.16 25.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 63.1 110.917 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -119.01 108.51 14.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 65.45 110.862 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.666 HG12 ' HA ' ' A' ' 64' ' ' LEU . 3.1 m -127.37 139.63 51.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 74.54 111.114 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -131.02 112.99 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 71.33 110.869 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.61 167.74 27.73 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.692 -0.766 . . . . 62.44 112.48 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -54.7 119.25 5.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.869 0.366 . . . . 74.11 110.882 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.0 t -42.47 -38.77 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 73.33 111.088 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -63.26 -49.96 72.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 74.25 110.92 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.558 HD13 ' HB2' ' A' ' 62' ' ' ALA . 80.5 mt -48.3 -55.05 11.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.102 -0.499 . . . . 75.13 110.889 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.495 HG22 HD21 ' A' ' 64' ' ' LEU . 2.9 pp -71.04 -20.05 21.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 70.21 111.127 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.43 ' N ' HD12 ' A' ' 99' ' ' ILE . 89.7 t80 -83.52 -13.46 54.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 72.33 110.864 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.496 ' HG ' HG11 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -75.26 -37.31 61.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 65.23 110.907 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.565 HD23 ' HA1' ' A' ' 200' ' ' PLM . 6.4 mp -86.95 -3.4 59.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 74.32 110.968 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.641 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 7.7 mt-10 -63.73 -52.31 59.11 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.583 0.706 . . . . 63.23 110.869 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.641 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.0 Cg_endo -69.82 -6.63 19.08 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.654 2.236 . . . . 73.13 112.314 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -93.67 -17.23 23.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 74.43 110.829 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.676 HD11 ' HE1' ' A' ' 200' ' ' PLM . 8.7 mt -56.02 -41.47 68.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 75.54 111.175 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.0 99.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 64.22 111.127 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.0 m -51.48 -25.52 6.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.451 . . . . 64.31 110.838 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 15.4 mt -72.32 171.07 12.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 61.52 110.908 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 61.55 110.944 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' PLM . . . . . 0.729 ' H82' HG23 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mmt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.798 0.332 . . . . 63.32 110.84 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.41 126.7 8.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 54.23 110.892 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.61 164.87 0.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 75.02 110.929 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -58.99 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 74.23 110.97 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 p -45.04 -30.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 54.53 110.852 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -54.03 -50.95 65.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 71.01 110.904 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.57 -37.21 48.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 65.44 110.936 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.401 HG11 ' HG3' ' A' ' 71' ' ' MET . 91.6 t -61.99 -54.34 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 74.3 111.103 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -48.08 -44.91 32.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 72.03 110.893 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.66 -46.07 87.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 71.4 111.12 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -53.83 40.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 75.32 110.924 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.652 HG23 ' C8 ' ' A' ' 200' ' ' PLM . 52.6 mt -55.5 -48.21 77.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 74.53 111.165 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.824 ' HA ' HD23 ' A' ' 16' ' ' LEU . . . -60.9 -55.21 35.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 65.53 111.156 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -55.72 -30.08 60.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.869 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.539 ' HG3' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -77.24 -36.56 54.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 74.55 110.861 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.824 HD23 ' HA ' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -71.64 -19.13 62.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 71.15 110.9 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 13' ' ' ALA . 35.3 mt-10 -87.03 -9.76 54.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 73.03 110.899 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.2 t -74.08 -42.98 59.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 62.03 110.819 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.67 HG22 ' HD2' ' A' ' 24' ' ' ARG . 2.0 mp -47.75 104.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 72.51 111.163 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.21 144.64 91.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 72.22 110.873 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 -11.87 31.78 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.776 2.317 . . . . 73.52 112.354 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.25 -4.83 52.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 74.4 111.132 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -173.09 104.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 71.22 110.916 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.67 ' HD2' HG22 ' A' ' 19' ' ' ILE . 39.0 mmm-85 -108.65 178.53 4.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 73.04 110.894 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -108.3 -83.06 0.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 73.4 110.973 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.1 p -131.45 118.9 41.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 62.44 111.14 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -102.86 125.93 49.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.217 -0.447 . . . . 64.43 110.893 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.73 179.19 3.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 70.02 110.856 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.577 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 71.0 t -101.31 121.74 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 54.23 111.084 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -107.29 161.58 14.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 71.04 110.891 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.496 ' HD2' HG23 ' A' ' 63' ' ' THR . 1.9 ttmt -126.78 138.46 53.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.887 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.793 ' CE2' HD13 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -136.51 120.78 17.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 73.13 110.841 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.575 ' C ' HD13 ' A' ' 34' ' ' ILE . 4.7 mtt180 -118.49 140.12 50.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 75.14 110.923 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.575 HD13 ' C ' ' A' ' 33' ' ' ARG . 7.8 mm -114.29 90.51 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 73.2 111.179 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.734 HG22 ' CA ' ' A' ' 40' ' ' VAL . 66.9 p -95.1 139.66 31.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 73.35 111.121 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -108.74 97.96 7.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 63.41 110.874 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.9 -43.49 2.28 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.789 -0.72 . . . . 64.45 112.482 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.17 -25.7 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 74.12 112.478 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -103.12 153.72 20.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.806 0.336 . . . . 62.52 110.93 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.734 ' CA ' HG22 ' A' ' 35' ' ' THR . 11.9 p -84.9 145.23 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 63.31 111.104 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 34' ' ' ILE . 5.2 m -125.58 -5.19 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 44.34 111.152 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.65 165.11 16.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 64.32 110.899 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -126.43 149.84 49.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 72.11 110.898 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.511 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -137.74 146.47 43.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.961 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 56' ' ' SER . 23.2 t -137.87 135.05 45.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 60.54 111.121 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.633 ' HG3' HD21 ' A' ' 53' ' ' LEU . 1.8 ttm -100.48 113.85 26.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 72.04 110.911 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.36 85.02 5.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 72.4 110.863 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.511 HD21 ' H51' ' A' ' 200' ' ' PLM . 11.7 mt -80.31 -9.38 59.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 74.54 110.901 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.51 -47.32 17.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 64.21 110.841 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.7 -3.12 46.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 41.4 110.858 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.651 ' C ' HD11 ' A' ' 16' ' ' LEU . 3.3 t 69.11 48.71 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 71.44 111.133 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -148.79 164.63 33.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 73.31 110.907 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.672 HD12 HD23 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -119.97 139.82 51.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 71.22 110.953 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.3 m -140.51 166.77 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.454 . . . . 72.4 111.153 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.511 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.8 pm0 -105.5 108.17 19.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 73.52 110.857 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.879 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -168.83 169.54 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 73.41 110.854 -179.825 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.67 115.19 17.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 71.22 110.838 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -156.74 171.95 19.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 62.33 110.87 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.3 150.3 1.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 64.14 111.083 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.577 ' HB1' ' O ' ' A' ' 29' ' ' VAL . . . -170.89 145.12 2.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 60.25 111.113 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -64.35 -14.78 58.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 63.55 110.835 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -143.27 150.98 40.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 60.23 111.095 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.496 HG23 ' HD2' ' A' ' 31' ' ' LYS . 87.8 m -140.81 136.42 32.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 73.24 111.133 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.793 HD13 ' CE2' ' A' ' 32' ' ' PHE . 1.9 mp -129.1 104.56 7.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 42.2 110.92 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.421 ' C ' ' HG3' ' A' ' 66' ' ' MET . 38.3 m -112.17 139.88 47.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 74.44 111.136 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.421 ' HG3' ' C ' ' A' ' 65' ' ' THR . 0.0 OUTLIER 177.35 -174.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 74.32 110.894 179.817 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -80.21 160.04 25.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 74.44 110.891 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.46 ' OD2' HG21 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -63.46 -44.83 93.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 75.34 110.951 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -49.84 -24.23 2.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 74.02 110.832 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 19.9 mm -70.36 -23.64 24.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.186 -0.461 . . . . 73.31 111.112 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.401 ' HG3' HG11 ' A' ' 8' ' ' VAL . 28.2 tpp -61.83 -50.74 71.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 75.0 110.927 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.486 ' C ' ' CD1' ' A' ' 72' ' ' PHE . 4.2 p90 -74.4 -28.0 60.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 63.32 110.88 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.66 -59.29 3.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 72.11 111.123 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.703 HD11 ' HE1' ' A' ' 90' ' ' MET . 62.9 mt -79.16 -39.95 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 62.02 111.17 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.645 ' O ' HD12 ' A' ' 109' ' ' LEU . . . -50.25 -40.97 38.45 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 54.01 112.465 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 72.4 p -86.28 -11.71 51.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.75 0.31 . . . . 74.33 111.107 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.49 23.59 67.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.764 -0.731 . . . . 72.34 112.476 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.84 -44.2 73.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 51.42 111.089 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.1 mt -118.14 149.87 46.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.683 0.754 . . . . 75.14 110.842 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 131.08 20.46 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.634 2.222 . . . . 72.45 112.336 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.759 ' HB1' ' HE1' ' A' ' 85' ' ' MET . . . -65.41 -28.24 69.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.419 . . . . 35.22 111.045 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -71.41 -56.98 4.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 64.02 110.912 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -63.06 -46.93 85.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.309 -0.405 . . . . 73.2 110.887 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.01 -52.53 41.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 63.32 111.058 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.759 ' HE1' ' HB1' ' A' ' 81' ' ' ALA . 9.9 mtm -72.57 -26.66 61.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.424 . . . . 72.33 110.866 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.13 -23.2 63.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 44.2 111.078 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -85.83 28.99 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 63.45 110.928 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 49.02 26.86 1.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 74.43 110.909 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.08 -59.41 2.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 64.21 110.889 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.703 ' HE1' HD11 ' A' ' 74' ' ' ILE . 0.7 OUTLIER -99.83 152.75 19.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 63.1 110.844 179.892 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -124.91 109.55 13.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 65.45 110.883 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.6 p -118.6 142.4 33.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 74.54 111.111 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -133.44 112.6 11.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 71.33 110.849 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.06 167.85 27.33 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.695 -0.764 . . . . 62.44 112.445 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.54 116.55 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 74.11 110.925 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.5 t -42.09 -39.35 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 73.33 111.187 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.34 -47.97 74.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.25 110.881 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 55.0 mt -48.62 -54.52 14.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 75.13 110.945 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.539 HD12 ' N ' ' A' ' 100' ' ' PHE . 2.8 pp -72.38 -28.79 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 70.21 111.086 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.539 ' N ' HD12 ' A' ' 99' ' ' ILE . 93.9 t80 -70.52 -13.0 61.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 72.33 110.91 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.37 -35.5 58.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 65.23 110.895 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.616 HD23 ' HA1' ' A' ' 200' ' ' PLM . 6.3 mp -87.25 -6.67 58.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.883 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.618 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 8.3 mt-10 -63.12 -53.82 51.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.622 0.725 . . . . 63.23 110.87 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.618 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.9 Cg_endo -69.76 -6.95 19.82 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.648 2.232 . . . . 73.13 112.376 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -96.68 -17.79 20.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 74.43 110.896 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.732 HD11 ' HE1' ' A' ' 200' ' ' PLM . 20.4 mt -57.77 -40.91 78.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 75.54 111.108 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.17 -37.9 84.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 64.22 111.07 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.97 -30.38 14.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 64.31 110.862 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.645 HD12 ' O ' ' A' ' 75' ' ' GLY . 17.5 mt -66.61 171.58 4.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 61.52 110.902 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 11.5 mttt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 61.55 110.927 179.804 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' PLM . . . . . 0.732 ' HE1' HD11 ' A' ' 106' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.791 0.329 . . . . 63.32 110.889 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m -110.21 135.0 51.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 54.23 110.877 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -57.99 167.33 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 75.02 110.978 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -69.66 -62.5 1.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 74.23 110.895 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 p -45.02 -30.35 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 54.53 110.85 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.08 -50.62 66.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 71.01 110.866 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.21 -39.31 63.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 65.44 110.845 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.596 HG21 ' C ' ' A' ' 71' ' ' MET . 73.8 t -58.92 -58.67 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.3 111.121 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -48.83 -45.12 40.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 72.03 110.873 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.39 -43.59 98.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 71.4 111.114 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -58.49 -50.53 73.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 75.32 110.941 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.71 HG23 ' H82' ' A' ' 200' ' ' PLM . 71.3 mt -55.84 -56.68 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.53 111.091 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.91 -52.71 48.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 65.53 111.129 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -54.76 -26.71 36.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.883 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.26 -33.48 59.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 74.55 110.93 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.643 ' HB3' HD12 ' A' ' 19' ' ' ILE . 11.0 mt -67.03 -21.84 65.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 71.15 110.928 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -53.96 -25.31 20.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 73.03 110.936 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.06 -23.85 41.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 62.03 110.845 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.823 HG23 ' CZ ' ' A' ' 24' ' ' ARG . 88.6 mt -49.61 104.4 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 72.51 111.108 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.01 143.25 27.59 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.561 0.696 . . . . 72.22 110.858 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -14.9 36.59 Favored 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.728 2.285 . . . . 73.52 112.368 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.39 -7.08 51.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 74.4 111.13 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -173.44 103.98 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 71.22 110.88 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.823 ' CZ ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -122.73 175.42 6.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 73.04 110.848 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.477 ' HG2' HD22 ' A' ' 101' ' ' LEU . 1.0 OUTLIER -124.48 -66.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 73.4 110.893 -179.91 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 83.9 t -143.99 112.49 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 62.44 111.159 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -109.45 125.65 52.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 64.43 110.883 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.638 ' O ' HD13 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -170.11 178.94 3.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 70.02 110.908 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.6 t -91.75 127.61 43.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 54.23 111.072 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.415 ' OH ' HD22 ' A' ' 98' ' ' LEU . 6.6 m-85 -111.14 170.9 7.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.478 . . . . 71.04 110.928 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.576 ' HB2' ' HB3' ' A' ' 60' ' ' ALA . 7.4 ttpt -134.86 132.28 38.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 74.42 110.895 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.453 ' O ' ' N ' ' A' ' 44' ' ' TRP . 0.1 OUTLIER -128.88 114.49 16.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 73.13 110.892 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.639 ' HB3' HG23 ' A' ' 65' ' ' THR . 1.5 mtt180 -97.98 136.68 37.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 75.14 110.838 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.9 mm -115.47 106.73 21.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 73.2 111.141 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.641 HG22 ' HA ' ' A' ' 40' ' ' VAL . 6.0 p -107.12 138.0 44.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 73.35 111.131 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.74 97.6 7.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 63.41 110.931 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.39 -53.55 4.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.729 . . . . 64.45 112.559 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.09 -23.88 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.783 -0.722 . . . . 74.12 112.513 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.17 135.63 47.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.335 . . . . 62.52 110.933 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.641 ' HA ' HG22 ' A' ' 35' ' ' THR . 7.6 p -58.03 127.66 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.415 . . . . 63.31 111.133 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.3 p -94.45 -31.94 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 44.34 111.103 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.41 151.12 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 64.32 110.921 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -95.08 158.98 15.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 72.11 110.875 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' PHE . 0.6 OUTLIER -138.15 149.86 46.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 73.33 110.923 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 56' ' ' SER . 27.9 t -130.36 141.2 46.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.413 . . . . 60.54 111.147 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.404 ' HB3' ' HB2' ' A' ' 30' ' ' TYR . 0.8 OUTLIER -104.93 103.73 13.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 72.04 110.881 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -83.04 89.54 6.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 72.4 110.825 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.638 HD13 ' O ' ' A' ' 28' ' ' HIS . 6.9 mp -77.33 -7.5 56.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 74.54 110.907 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -84.11 -55.75 4.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 64.21 110.886 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -84.71 -9.5 58.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 41.4 110.872 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.2 t 67.62 44.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 71.44 111.122 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -148.52 133.34 17.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 73.31 110.906 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.588 ' CD1' HD11 ' A' ' 16' ' ' LEU . 4.4 mp -84.57 137.17 33.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 71.22 110.949 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.9 m -138.13 163.83 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 72.4 111.104 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.434 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.7 pm0 -101.58 108.9 20.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 73.52 110.909 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.827 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -166.83 166.26 15.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 73.41 110.789 -179.76 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.89 117.7 23.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 71.22 110.899 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.39 164.22 36.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 62.33 110.892 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.54 91.5 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 64.14 111.128 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.576 ' HB3' ' HB2' ' A' ' 31' ' ' LYS . . . -94.39 151.3 19.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 60.25 111.133 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.15 -18.38 64.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 63.55 110.912 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.93 124.34 13.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.153 -0.476 . . . . 60.23 111.165 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.543 HG23 ' HE2' ' A' ' 31' ' ' LYS . 31.9 m -103.34 128.18 50.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 73.24 111.129 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.666 HD21 HG22 ' A' ' 99' ' ' ILE . 1.2 mp -124.51 104.81 8.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 42.2 110.945 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.639 HG23 ' HB3' ' A' ' 33' ' ' ARG . 1.3 m -96.64 130.22 43.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 74.44 111.087 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 31.3 mtt -157.88 158.4 35.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.32 110.869 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -93.21 161.85 14.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 74.44 110.84 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.5 -58.82 4.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 75.34 110.899 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.11 -42.58 60.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.217 -0.447 . . . . 74.02 110.863 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 70' ' ' ILE . 18.6 mm -58.01 -39.57 72.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 73.31 111.115 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.596 ' C ' HG21 ' A' ' 8' ' ' VAL . 10.8 mmt -58.95 -44.23 91.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 75.0 110.807 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -73.06 -30.47 63.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 63.32 110.83 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.19 -59.5 2.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 72.11 111.098 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.8 mt -71.49 -43.77 71.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 62.02 111.165 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -51.42 -35.3 35.77 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 54.01 112.501 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 81.3 p -89.3 -15.09 34.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.822 0.344 . . . . 74.33 111.084 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.34 25.51 56.94 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 72.34 112.525 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.34 -41.09 49.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 51.42 111.136 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.3 mt -118.85 152.79 52.08 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.637 0.732 . . . . 75.14 110.863 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 123.41 10.09 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.675 2.25 . . . . 72.45 112.329 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.527 ' HB1' ' HE1' ' A' ' 85' ' ' MET . . . -63.32 -31.56 72.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 35.22 111.16 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp -67.86 -54.53 18.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 64.02 110.901 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -59.11 -44.49 91.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 73.2 110.861 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.9 -50.47 57.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 63.32 111.06 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.527 ' HE1' ' HB1' ' A' ' 81' ' ' ALA . 5.9 mtt -76.79 -26.6 54.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 72.33 110.946 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.46 -31.43 70.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 44.2 111.095 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -89.01 28.34 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 63.45 110.92 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 48.06 27.65 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 74.43 110.866 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -87.49 2.24 51.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 64.21 110.862 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -159.29 153.07 23.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 63.1 110.914 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -122.55 108.45 13.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 65.45 110.876 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 70.3 t -119.8 140.12 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 74.54 111.117 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -133.15 113.22 12.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 71.33 110.846 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.68 167.84 27.96 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 62.44 112.534 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.473 ' HB2' HD12 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -54.47 115.27 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 74.11 110.917 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.6 t -43.03 -43.72 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 73.33 111.14 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -49.48 76.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 74.25 110.896 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.788 ' HA ' HD12 ' A' ' 101' ' ' LEU . 77.8 mt -48.4 -54.12 15.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 75.13 110.888 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.666 HG22 HD21 ' A' ' 64' ' ' LEU . 41.1 pt -69.95 -23.12 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 70.21 111.195 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -79.5 -15.78 57.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 72.33 110.868 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.788 HD12 ' HA ' ' A' ' 98' ' ' LEU . 8.6 mt -76.19 -38.68 56.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 65.23 110.88 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.765 HD23 ' HA1' ' A' ' 200' ' ' PLM . 8.5 mp -84.04 -7.08 59.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 74.32 110.935 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.626 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 8.5 mt-10 -62.47 -53.28 58.97 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.66 0.743 . . . . 63.23 110.857 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.4 Cg_endo -69.69 -7.68 21.66 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.701 2.267 . . . . 73.13 112.293 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -98.85 -17.02 18.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.286 -0.416 . . . . 74.43 110.923 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.619 HD11 ' HE1' ' A' ' 200' ' ' PLM . 49.0 mt -49.31 -41.82 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 75.54 111.094 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.6 -40.68 84.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 64.22 111.115 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.627 ' O ' ' C ' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -65.02 -25.1 67.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 64.31 110.851 -179.826 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.627 ' C ' ' O ' ' A' ' 108' ' ' SER . 0.2 OUTLIER -14.69 94.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 61.52 110.925 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.5 tttt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 61.55 110.932 179.864 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' PLM . . . . . 0.765 ' HA1' HD23 ' A' ' 102' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.874 0.368 . . . . 63.32 110.84 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -65.98 137.9 57.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 54.23 110.921 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.98 160.66 24.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 75.02 110.904 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.03 -60.36 3.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.902 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.421 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -44.73 -32.05 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 54.53 110.817 -179.876 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -54.27 -49.6 69.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 71.01 110.924 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -52.03 -37.3 53.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 65.44 110.875 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.714 HG11 ' HG3' ' A' ' 71' ' ' MET . 95.7 t -52.41 -60.11 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 74.3 111.172 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -49.64 -44.26 47.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 72.03 110.903 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.31 -42.0 98.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 71.4 111.11 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -60.24 -53.71 54.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 75.32 110.907 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.705 HG13 HD21 ' A' ' 109' ' ' LEU . 47.7 mt -54.45 -54.99 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 74.53 111.182 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.72 -52.26 63.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 65.53 111.066 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -54.12 -30.23 48.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 74.23 110.899 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.28 -33.89 65.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 74.55 110.931 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.573 ' HB3' HD12 ' A' ' 19' ' ' ILE . 10.4 mt -67.47 -20.79 65.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 71.15 110.863 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -56.88 -24.03 48.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 73.03 110.868 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 m -81.16 -18.26 46.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 62.03 110.877 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.777 HG23 ' CZ ' ' A' ' 24' ' ' ARG . 89.5 mt -50.31 104.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 72.51 111.15 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.09 143.93 29.75 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.61 0.719 . . . . 72.22 110.861 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -14.39 36.16 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.75 2.3 . . . . 73.52 112.311 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.77 -7.29 52.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 74.4 111.101 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -174.52 104.41 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 71.22 110.83 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.777 ' CZ ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -124.57 177.12 6.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 73.04 110.777 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.42 ' OE1' HD22 ' A' ' 101' ' ' LEU . 43.1 mt-30 -119.28 -40.85 2.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 73.4 110.923 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 p -176.85 131.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 62.44 111.118 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -110.36 125.16 52.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 64.43 110.838 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -170.68 179.09 3.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 70.02 110.801 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.3 t -100.84 133.38 44.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.222 -0.445 . . . . 54.23 111.138 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.56 ' OH ' HD22 ' A' ' 98' ' ' LEU . 12.1 m-85 -121.36 160.51 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 71.04 110.923 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -127.28 135.36 50.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 74.42 110.966 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.85 122.49 36.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 73.13 110.83 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.693 ' HB2' HG23 ' A' ' 65' ' ' THR . 43.0 mtp180 -107.14 130.7 54.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 75.14 110.915 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.41 HG13 ' HE1' ' A' ' 71' ' ' MET . 24.5 mm -111.01 90.41 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 73.2 111.09 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.805 HG23 ' HA ' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -85.57 164.94 17.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 73.35 111.158 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -129.06 96.63 4.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 63.41 110.89 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.68 -48.77 2.3 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.8 -0.714 . . . . 64.45 112.462 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 165.13 3.46 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.807 -0.711 . . . . 74.12 112.53 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.455 ' C ' ' CG2' ' A' ' 35' ' ' THR . 1.3 mtmt -123.93 123.45 40.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.799 0.333 . . . . 62.52 110.911 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.805 ' HA ' HG23 ' A' ' 35' ' ' THR . 7.4 p -44.91 130.99 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 63.31 111.203 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 m -125.62 -33.24 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 44.34 111.053 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.56 158.54 37.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 64.32 110.859 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.86 151.03 39.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 72.11 110.886 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.423 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -135.56 149.02 49.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 73.33 110.907 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.62 HG23 ' CG2' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -123.5 143.44 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 60.54 111.133 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.24 100.35 11.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 72.04 110.862 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.46 80.86 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 72.4 110.905 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.425 HD13 ' HD1' ' A' ' 30' ' ' TYR . 5.0 mp -72.63 -11.67 60.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 74.54 110.945 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.8 -52.82 6.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 64.21 110.962 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -84.5 -6.4 59.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 41.4 110.837 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.42 HG12 ' HB2' ' A' ' 16' ' ' LEU . 3.4 t 68.99 46.23 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 71.44 111.136 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.86 166.88 27.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 73.31 110.854 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.9 mp -124.23 104.89 9.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 71.22 110.947 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.62 ' CG2' HG23 ' A' ' 45' ' ' VAL . 3.0 m -103.45 174.57 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 72.4 111.136 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.423 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.4 pm0 -106.97 110.75 22.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 73.52 110.916 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.421 ' N ' HG22 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -169.04 165.69 11.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 73.41 110.805 -179.706 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.66 115.67 22.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.499 . . . . 71.22 110.887 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -155.53 168.06 28.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 62.33 110.898 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.43 159.23 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 64.14 111.087 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -169.01 142.37 2.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 60.25 111.126 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.56 -23.54 67.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 63.55 110.924 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -140.05 124.15 17.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 60.23 111.048 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 83.2 m -103.57 128.48 50.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 73.24 111.101 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.449 HD11 HG22 ' A' ' 99' ' ' ILE . 0.5 OUTLIER -125.31 119.0 27.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 42.2 110.879 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.693 HG23 ' HB2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -114.51 130.76 56.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 74.44 111.136 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.624 ' HG2' HG21 ' A' ' 70' ' ' ILE . 4.1 mtm -154.02 140.7 18.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 74.32 110.884 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -74.02 154.05 39.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.9 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.95 -53.65 18.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 75.34 110.904 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.4 ' O ' ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -50.65 -30.04 12.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 74.02 110.894 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.624 HG21 ' HG2' ' A' ' 66' ' ' MET . 19.1 mm -83.42 -23.13 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 73.31 111.141 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.714 ' HG3' HG11 ' A' ' 8' ' ' VAL . 2.6 ttp -60.05 -51.27 70.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 75.0 110.955 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.484 ' C ' ' CD1' ' A' ' 72' ' ' PHE . 3.3 p90 -72.17 -28.68 63.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 63.32 110.933 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.96 -59.72 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 72.11 111.105 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 57.9 mt -72.18 -40.61 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 62.02 111.17 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.55 -39.28 53.18 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.757 -0.735 . . . . 54.01 112.398 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 71.3 p -94.42 7.53 45.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 74.33 111.206 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 58.48 29.66 63.93 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.747 -0.74 . . . . 72.34 112.522 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.19 -40.31 68.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.768 0.318 . . . . 51.42 111.064 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 25.6 mt -118.62 155.57 52.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.51 0.671 . . . . 75.14 110.969 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 123.11 9.77 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.685 2.257 . . . . 72.45 112.31 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.419 ' HB1' ' HE1' ' A' ' 85' ' ' MET . . . -62.14 -32.05 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 35.22 111.102 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -69.31 -57.2 5.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 64.02 110.913 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.55 -43.58 84.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 73.2 110.921 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.475 ' HB1' ' SD ' ' A' ' 90' ' ' MET . . . -51.06 -51.12 56.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 63.32 111.094 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.419 ' HE1' ' HB1' ' A' ' 81' ' ' ALA . 5.5 mtt -75.85 -26.8 57.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 72.33 110.886 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.18 -32.07 70.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 44.2 111.119 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -90.09 27.67 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 63.45 110.853 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 46.48 29.83 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.861 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.83 10.07 36.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 64.21 110.944 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.475 ' SD ' ' HB1' ' A' ' 84' ' ' ALA . 1.6 mtm -154.39 144.6 22.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 63.1 110.868 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -119.97 108.7 14.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 65.45 110.887 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.8 p -128.58 141.13 47.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 74.54 111.171 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -131.59 113.48 13.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 71.33 110.836 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.9 167.92 28.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 62.44 112.488 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.511 ' HB2' HD12 ' A' ' 98' ' ' LEU . 2.1 tp60 -54.26 118.51 4.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.348 . . . . 74.11 110.957 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 99' ' ' ILE . 79.9 t -42.55 -42.61 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 73.33 111.155 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -62.98 -48.72 77.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 74.25 110.925 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.56 HD22 ' OH ' ' A' ' 30' ' ' TYR . 79.1 mt -48.7 -54.82 13.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 75.13 110.963 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.521 HD12 ' N ' ' A' ' 100' ' ' PHE . 2.8 pp -72.34 -27.11 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 70.21 111.191 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.521 ' N ' HD12 ' A' ' 99' ' ' ILE . 93.3 t80 -72.64 -15.11 61.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 72.33 110.862 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 98' ' ' LEU . 22.1 mt -75.72 -34.02 60.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 65.23 110.899 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.538 HD23 ' HA1' ' A' ' 200' ' ' PLM . 7.5 mp -84.64 -8.59 58.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.926 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.632 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 23.1 mt-10 -63.07 -53.11 57.73 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.677 0.751 . . . . 63.23 110.945 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.7 Cg_endo -69.74 -7.75 21.85 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 73.13 112.413 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -97.73 -17.23 19.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.874 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.613 HD11 ' HE1' ' A' ' 200' ' ' PLM . 24.2 mt -51.9 -45.58 39.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 75.54 111.13 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.74 -35.87 77.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 64.22 111.134 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.0 m -50.6 -29.49 11.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 64.31 110.884 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.705 HD21 HG13 ' A' ' 12' ' ' ILE . 8.1 mp -71.39 171.22 11.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 61.52 110.94 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 61.55 110.935 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' PLM . . . . . 0.689 ' H82' HG23 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.8 0.333 . . . . 63.32 110.875 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -120.91 122.22 39.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 54.23 110.947 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.95 176.34 3.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 75.02 110.949 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -63.11 1.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 74.23 110.892 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.0 p -44.3 -31.25 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 54.53 110.881 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -54.08 -50.54 66.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.127 -0.488 . . . . 71.01 110.892 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.69 -39.2 61.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 65.44 110.941 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.609 HG21 ' C ' ' A' ' 71' ' ' MET . 67.9 t -56.94 -59.69 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 74.3 111.087 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -48.92 -45.4 41.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 72.03 110.874 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.13 -48.98 79.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 71.4 111.145 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.422 ' HB3' ' HG ' ' A' ' 109' ' ' LEU . 0.3 OUTLIER -53.44 -50.57 64.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 75.32 110.929 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.49 ' CG1' HD21 ' A' ' 109' ' ' LEU . 12.6 mt -57.75 -56.36 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 74.53 111.132 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.46 -54.88 26.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 65.53 111.068 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -27.19 52.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 74.23 110.899 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.71 ' NH2' HD13 ' A' ' 109' ' ' LEU . 0.5 OUTLIER -76.85 -35.95 57.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 74.55 110.852 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.49 HD22 ' H42' ' A' ' 200' ' ' PLM . 61.3 mt -64.59 -22.62 67.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 71.15 110.905 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -54.22 -26.17 27.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 73.03 110.917 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.97 -21.15 57.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 62.03 110.92 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.81 HG23 ' CZ ' ' A' ' 24' ' ' ARG . 83.6 mt -48.58 104.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 72.51 111.186 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.66 144.14 30.0 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.551 0.691 . . . . 72.22 110.868 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.74 -11.11 30.19 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.686 2.258 . . . . 73.52 112.37 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.58 -12.61 60.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 74.4 111.058 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -172.08 117.09 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 71.22 110.902 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.81 ' CZ ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -130.01 -179.77 5.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 73.04 110.85 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -125.27 -40.28 2.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 73.4 110.959 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.521 ' O ' HG13 ' A' ' 26' ' ' VAL . 5.2 p -176.11 123.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 62.44 111.079 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -106.87 125.86 51.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.119 -0.491 . . . . 64.43 110.882 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.639 ' O ' HD13 ' A' ' 48' ' ' LEU . 21.2 p-80 -170.23 179.1 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 70.02 110.849 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.3 t -95.38 135.84 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 54.23 111.092 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.664 ' CD1' HD11 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -118.12 165.72 13.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 71.04 110.962 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.61 ' O ' HD12 ' A' ' 64' ' ' LEU . 1.8 ttmm -139.25 135.88 34.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.904 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.56 127.33 42.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.896 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.621 ' HB3' HG23 ' A' ' 65' ' ' THR . 8.6 mtt180 -106.55 139.27 41.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 75.14 110.863 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.531 HD13 ' O ' ' A' ' 33' ' ' ARG . 28.2 mm -121.13 130.16 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 73.2 111.135 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.57 HG22 ' HA ' ' A' ' 40' ' ' VAL . 6.6 p -122.97 138.26 54.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 73.35 111.09 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -152.09 105.79 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 63.41 110.877 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.21 12.49 21.7 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.778 -0.725 . . . . 64.45 112.554 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.67 -12.97 59.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 74.12 112.497 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.98 157.69 46.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 62.52 110.872 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.57 ' HA ' HG22 ' A' ' 35' ' ' THR . 6.3 p -56.82 124.41 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 63.31 111.157 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.0 p -87.8 -33.31 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 44.34 111.155 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.2 145.97 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 64.32 110.873 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.435 ' H ' ' ND2' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -86.73 161.72 18.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 72.11 110.922 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.404 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -143.41 150.17 38.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.883 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.653 HG13 HG22 ' A' ' 54' ' ' VAL . 1.9 p -134.14 143.15 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 60.54 111.166 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -99.12 107.62 20.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 72.04 110.864 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -83.91 86.32 7.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 72.4 110.885 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.639 HD13 ' O ' ' A' ' 28' ' ' HIS . 5.8 mp -73.42 -7.31 51.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 74.54 111.0 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -84.08 -54.72 4.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 64.21 110.882 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.11 -9.11 58.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 41.4 110.941 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.473 HG13 ' HB3' ' A' ' 16' ' ' LEU . 5.9 t 67.13 43.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 71.44 111.187 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.2 tptm -149.85 134.83 17.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 73.31 110.88 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.1 mp -84.48 137.38 33.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 71.22 110.934 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.653 HG22 HG13 ' A' ' 45' ' ' VAL . 3.0 m -137.22 166.76 24.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.24 -0.437 . . . . 72.4 111.078 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.404 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -102.43 107.43 18.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 73.52 110.897 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.54 164.18 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 73.41 110.831 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.73 116.71 27.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 71.22 110.887 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.27 157.76 43.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 62.33 110.901 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.9 92.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 64.14 111.128 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.1 149.17 21.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 60.25 111.048 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.37 -23.24 67.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.476 . . . . 63.55 110.888 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.459 ' HB3' ' CE1' ' A' ' 30' ' ' TYR . . . -140.63 124.36 17.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 60.23 111.106 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 82.6 m -103.84 129.34 51.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 73.24 111.11 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.664 HD11 ' CD1' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -127.08 112.37 15.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 42.2 110.956 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.621 HG23 ' HB3' ' A' ' 33' ' ' ARG . 1.7 m -101.27 131.57 47.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 74.44 111.147 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.633 ' HG2' HG21 ' A' ' 70' ' ' ILE . 0.3 OUTLIER -157.99 156.81 31.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.299 -0.41 . . . . 74.32 110.885 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -89.01 162.82 15.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 74.44 110.91 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.37 -58.2 5.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 75.34 110.826 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.89 -43.36 59.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 74.02 110.868 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.633 HG21 ' HG2' ' A' ' 66' ' ' MET . 14.0 mm -55.22 -47.05 78.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 73.31 111.159 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.609 ' C ' HG21 ' A' ' 8' ' ' VAL . 0.6 OUTLIER -51.49 -43.46 62.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 75.0 110.891 179.845 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -70.18 -30.84 68.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 63.32 110.899 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.73 -59.93 2.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 72.11 111.017 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 52.0 mt -69.95 -44.2 78.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 62.02 111.1 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.509 ' O ' HD23 ' A' ' 109' ' ' LEU . . . -52.29 -37.78 48.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 54.01 112.5 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 43.1 p -92.67 -2.14 56.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.838 0.352 . . . . 74.33 111.137 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.79 29.63 73.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.771 -0.728 . . . . 72.34 112.492 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.42 -41.34 27.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.888 0.375 . . . . 51.42 111.073 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.7 mt -117.12 152.56 49.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.621 0.725 . . . . 75.14 110.967 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 120.92 7.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.661 2.241 . . . . 72.45 112.318 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.461 ' HB1' ' HE3' ' A' ' 85' ' ' MET . . . -60.91 -37.92 83.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 35.22 111.074 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.12 -56.9 10.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 64.02 110.897 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -44.86 82.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 73.2 110.902 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.35 -50.23 51.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 63.32 111.095 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.461 ' HE3' ' HB1' ' A' ' 81' ' ' ALA . 7.2 mtt -77.12 -26.6 53.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 72.33 110.89 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.64 -32.54 70.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 44.2 111.078 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -86.72 27.99 0.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 63.45 110.942 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 46.17 28.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.893 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -90.39 5.57 46.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 64.21 110.844 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.427 ' HG2' ' HG3' ' A' ' 66' ' ' MET . 1.1 mpp? -160.29 153.92 22.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 63.1 110.829 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -122.68 108.49 13.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 65.45 110.863 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.0 p -119.38 140.51 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 74.54 111.142 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -131.38 114.24 14.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 71.33 110.9 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.67 167.61 28.59 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.732 -0.747 . . . . 62.44 112.516 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.463 ' HB3' HD23 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -54.76 117.92 3.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 74.11 110.884 -179.871 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 67.9 t -43.65 -51.0 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 73.33 111.195 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -58.27 -49.79 75.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 74.25 110.945 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.614 HD12 ' NE2' ' A' ' 28' ' ' HIS . 1.7 mm? -48.45 -54.06 15.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 75.13 110.902 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.641 HG22 HD21 ' A' ' 64' ' ' LEU . 21.6 pt -71.29 -20.87 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 70.21 111.165 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -79.78 -13.74 59.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 72.33 110.838 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -75.87 -32.56 59.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 65.23 110.874 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.674 HD11 ' H52' ' A' ' 200' ' ' PLM . 3.0 mp -88.39 -5.74 58.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 74.32 110.905 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.629 ' HA ' HD12 ' A' ' 106' ' ' ILE . 15.9 mt-10 -67.27 -55.68 14.87 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.624 0.726 . . . . 63.23 110.939 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.576 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.1 Cg_endo -69.81 -6.26 18.19 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.622 2.215 . . . . 73.13 112.323 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -98.46 -18.06 18.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 74.43 110.859 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.724 HD11 ' HE1' ' A' ' 200' ' ' PLM . 12.2 mt -53.09 -27.63 13.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 75.54 111.163 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.29 -43.49 94.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 64.22 111.113 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.5 -24.98 5.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 64.31 110.874 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.71 HD13 ' NH2' ' A' ' 15' ' ' ARG . 0.4 OUTLIER -75.38 172.09 13.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 61.52 110.964 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 61.55 110.93 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' PLM . . . . . 0.724 ' HE1' HD11 ' A' ' 106' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 ptt? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.741 0.305 . . . . 63.32 110.938 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.0 m -114.89 134.52 55.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.415 . . . . 54.23 110.88 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.72 179.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.497 . . . . 75.02 110.871 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -42.79 -33.56 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 74.23 110.838 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.443 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 15.0 p -44.78 -27.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 54.53 110.824 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -53.67 -47.43 70.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 71.01 110.85 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -52.74 -38.42 60.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 65.44 110.901 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.736 HG11 ' HG3' ' A' ' 71' ' ' MET . 67.4 t -50.01 -61.73 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 74.3 111.091 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -50.82 -43.02 58.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 72.03 110.861 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.88 -44.54 96.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 71.4 111.16 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -56.83 -50.12 73.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 75.32 110.93 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.713 HG23 ' H82' ' A' ' 200' ' ' PLM . 77.1 mt -57.54 -49.19 81.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 74.53 111.125 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.49 -53.91 52.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 65.53 111.108 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -52.58 -25.34 10.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 74.23 110.933 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -77.73 -30.77 51.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 74.55 110.845 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.798 ' HB3' HD12 ' A' ' 19' ' ' ILE . 5.8 mt -71.3 -18.85 62.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 71.15 110.948 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -57.32 -20.64 29.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 73.03 110.924 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 t -91.89 -19.54 22.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 62.03 110.91 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.798 HD12 ' HB3' ' A' ' 16' ' ' LEU . 74.4 mt -51.6 104.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 72.51 111.09 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.81 143.15 28.06 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.594 0.711 . . . . 72.22 110.881 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -16.31 37.55 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 73.52 112.296 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.98 -5.59 44.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.298 -0.41 . . . . 74.4 111.171 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -177.64 104.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 71.22 110.874 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.723 ' CZ ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -117.46 -177.37 3.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 73.04 110.952 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.99 -37.04 2.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 73.4 110.927 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.647 HG11 HD13 ' A' ' 101' ' ' LEU . 8.6 p -176.82 126.36 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 62.44 111.125 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -110.97 124.68 52.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 64.43 110.917 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -170.94 175.19 4.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 70.02 110.81 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.9 t -104.0 129.91 55.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 54.23 111.095 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -122.11 145.6 48.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 71.04 110.87 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.6 ' O ' HD12 ' A' ' 64' ' ' LEU . 18.8 ttpt -106.9 143.69 34.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 74.42 110.895 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.4 125.96 33.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 73.13 110.887 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.656 ' HB2' HG23 ' A' ' 65' ' ' THR . 0.3 OUTLIER -110.61 140.08 45.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 75.14 110.885 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.504 ' O ' HG22 ' A' ' 41' ' ' VAL . 31.5 mm -116.86 90.59 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 73.2 111.136 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.78 HG22 HG22 ' A' ' 40' ' ' VAL . 25.3 p -101.58 165.18 11.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 73.35 111.139 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.39 98.39 4.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 63.41 110.861 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.84 -46.57 1.9 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 64.45 112.531 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 178.27 -29.02 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 74.12 112.471 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -98.16 146.58 25.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 62.52 110.883 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.78 HG22 HG22 ' A' ' 35' ' ' THR . 64.1 t -77.8 146.63 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.417 . . . . 63.31 111.13 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 34' ' ' ILE . 20.1 m -124.93 -21.37 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 44.34 111.155 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.26 152.78 17.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 64.32 110.917 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -107.43 154.4 21.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 72.11 110.845 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.482 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -144.46 150.91 38.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 73.33 110.915 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.556 HG13 HG22 ' A' ' 54' ' ' VAL . 7.2 p -141.83 140.73 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 60.54 111.098 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.8 ttm -99.31 118.63 36.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 72.04 110.886 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -96.13 89.95 5.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 72.4 110.904 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.469 HD22 ' H41' ' A' ' 200' ' ' PLM . 5.4 mt -75.84 -1.65 26.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 74.54 110.941 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.3 mtpt -84.93 -56.01 3.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 64.21 110.894 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -84.69 -8.03 59.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 41.4 110.903 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.2 t 69.06 43.53 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 71.44 111.134 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -149.6 144.72 26.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 73.31 110.891 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.5 mp -92.06 140.36 29.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 71.22 110.862 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.556 HG22 HG13 ' A' ' 45' ' ' VAL . 3.0 m -140.72 165.1 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 72.4 111.133 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.482 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 4.6 pm0 -102.14 104.21 14.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 73.52 110.878 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.68 162.41 14.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 73.41 110.826 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -122.11 117.4 26.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 71.22 110.851 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -143.53 159.63 42.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 62.33 110.867 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.52 91.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 64.14 111.07 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.08 149.98 21.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 60.25 111.1 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.97 -15.89 60.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 63.55 110.883 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.78 124.45 11.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 60.23 111.117 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.2 m -106.23 131.72 53.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 73.24 111.123 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.628 HD21 HG22 ' A' ' 99' ' ' ILE . 1.3 mp -129.21 118.24 22.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 42.2 110.908 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.656 HG23 ' HB2' ' A' ' 33' ' ' ARG . 3.5 m -107.58 134.85 49.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 74.44 111.152 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.525 ' HG2' HG21 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -160.07 158.12 29.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 74.32 110.889 179.905 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -93.05 161.68 14.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.415 . . . . 74.44 110.856 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.14 -59.01 4.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 75.34 110.921 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.91 -39.87 55.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 74.02 110.896 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.525 HG21 ' HG2' ' A' ' 66' ' ' MET . 14.7 mm -63.65 -42.28 95.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 73.31 111.091 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.736 ' HG3' HG11 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -51.38 -43.21 61.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 75.0 110.832 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.665 ' O ' HG22 ' A' ' 76' ' ' THR . 91.2 t80 -69.33 -30.73 68.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 63.32 110.878 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.44 -59.54 2.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 72.11 111.14 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.3 mt -71.85 -36.05 56.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 62.02 111.128 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.754 ' O ' HD12 ' A' ' 109' ' ' LEU . . . -48.88 -41.71 28.62 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 54.01 112.457 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.665 HG22 ' O ' ' A' ' 72' ' ' PHE . 4.2 t -102.07 11.51 38.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.835 0.35 . . . . 74.33 111.139 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.01 30.11 66.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.76 -0.733 . . . . 72.34 112.448 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.59 -41.55 68.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.338 . . . . 51.42 111.045 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.6 mt -115.16 156.03 45.98 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.662 0.744 . . . . 75.14 110.908 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 109.25 2.27 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.683 2.256 . . . . 72.45 112.302 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.495 ' HB1' ' HE3' ' A' ' 85' ' ' MET . . . -55.73 -39.48 71.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 35.22 111.098 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -49.63 76.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 64.02 110.894 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.17 -45.71 90.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.46 . . . . 73.2 110.881 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.97 -51.15 55.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 63.32 111.159 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.495 ' HE3' ' HB1' ' A' ' 81' ' ' ALA . 8.5 mtt -75.76 -26.67 57.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 72.33 110.847 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.07 -30.69 71.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 44.2 111.068 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -87.94 28.53 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 63.45 110.881 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 48.53 26.59 1.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.415 . . . . 74.43 110.844 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -86.92 1.31 53.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 64.21 110.88 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.42 ' HG2' ' HG3' ' A' ' 66' ' ' MET . 1.2 mpp? -160.17 153.72 22.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 63.1 110.858 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -123.11 108.46 12.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 65.45 110.906 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.468 HG12 ' H ' ' A' ' 65' ' ' THR . 13.3 m -118.01 140.3 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 74.54 111.101 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -131.14 113.16 13.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 71.33 110.895 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.6 168.09 28.26 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.695 -0.764 . . . . 62.44 112.461 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.475 ' HB3' HD23 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -54.11 116.05 2.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 74.11 110.949 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 97.4 t -43.05 -42.54 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 73.33 111.113 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.52 -47.69 82.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 74.25 110.911 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 95' ' ' GLN . 1.3 mm? -48.31 -54.14 14.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 75.13 110.91 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.628 HG22 HD21 ' A' ' 64' ' ' LEU . 15.7 pt -68.51 -15.87 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 70.21 111.103 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -87.99 -11.92 45.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.873 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.647 HD13 HG11 ' A' ' 26' ' ' VAL . 13.4 mt -74.74 -39.6 61.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 65.23 110.894 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.701 HD23 ' HA1' ' A' ' 200' ' ' PLM . 7.9 mp -87.04 -3.32 59.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.92 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.61 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 5.1 mt-10 -64.04 -54.26 41.6 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.608 0.718 . . . . 63.23 110.843 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 54.1 Cg_endo -69.71 -7.03 19.99 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.734 2.289 . . . . 73.13 112.363 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -96.0 -16.43 21.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 74.43 110.889 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.699 HD11 ' HE1' ' A' ' 200' ' ' PLM . 18.5 mt -57.35 -39.68 69.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 75.54 111.11 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.59 -38.49 90.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 64.22 111.051 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.2 m -50.45 -29.54 10.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 64.31 110.865 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.754 HD12 ' O ' ' A' ' 75' ' ' GLY . 21.3 mt -68.02 171.08 7.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 61.52 110.895 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 61.55 110.953 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' PLM . . . . . 0.734 ' C4 ' HD11 ' A' ' 19' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 mtm . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.793 0.33 . . . . 63.32 110.826 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.97 133.68 33.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 54.23 110.851 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.455 HD22 ' OD2' ' A' ' 68' ' ' ASP . 1.0 OUTLIER -91.99 134.92 34.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 75.02 110.934 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.67 -34.74 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 74.23 110.927 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.5 p -45.2 -26.98 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 54.53 110.916 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -53.6 -47.79 69.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 71.01 110.857 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -52.15 -38.72 58.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 65.44 110.933 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.553 HG21 ' C ' ' A' ' 71' ' ' MET . 73.8 t -54.93 -60.81 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 74.3 111.154 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -50.67 -44.79 57.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 72.03 110.901 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.71 -44.83 95.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 71.4 111.094 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.69 -49.05 76.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 75.32 110.986 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.778 ' HA ' HD22 ' A' ' 109' ' ' LEU . 72.6 mt -55.38 -49.64 71.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 74.53 111.139 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.18 -51.95 67.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 65.53 111.153 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -54.37 -26.74 31.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.937 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -76.39 -33.73 58.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 74.55 110.911 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.58 ' HB3' HD12 ' A' ' 19' ' ' ILE . 7.2 mt -67.35 -23.56 65.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 71.15 110.89 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -56.98 -24.37 52.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 73.03 110.909 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.96 -19.62 40.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.082 -0.508 . . . . 62.03 110.881 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.837 HG23 ' CZ ' ' A' ' 24' ' ' ARG . 96.4 mt -50.13 104.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 72.51 111.138 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.68 145.72 33.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.559 0.695 . . . . 72.22 110.944 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -11.61 31.21 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.671 2.247 . . . . 73.52 112.382 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.9 -10.04 59.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.232 -0.44 . . . . 74.4 111.077 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -174.55 104.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 71.22 110.88 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.837 ' CZ ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -116.28 -167.82 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.04 110.856 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -170.57 90.98 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 73.4 110.883 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.665 HG11 HD23 ' A' ' 98' ' ' LEU . 31.6 t 64.17 112.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 62.44 111.125 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -120.48 126.91 51.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 64.43 110.871 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -168.85 175.47 5.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 70.02 110.858 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.3 t -87.03 140.77 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 54.23 111.083 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -126.53 139.86 52.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 71.04 110.933 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.44 139.61 41.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 74.42 110.826 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.07 117.65 21.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 73.13 110.86 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.709 ' HB2' HG23 ' A' ' 65' ' ' THR . 24.3 mmt85 -104.38 131.8 51.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.875 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.8 mm -110.92 90.63 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 73.2 111.105 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.591 HG22 HG22 ' A' ' 40' ' ' VAL . 9.5 p -99.2 169.78 9.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 73.35 111.213 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -137.41 98.56 3.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 63.41 110.908 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.21 -46.96 2.19 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 64.45 112.492 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.87 -31.8 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.751 -0.738 . . . . 74.12 112.539 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.12 144.42 27.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.801 0.334 . . . . 62.52 110.909 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.591 HG22 HG22 ' A' ' 35' ' ' THR . 4.6 t -75.3 145.22 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 63.31 111.035 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 m -123.26 -23.67 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 44.34 111.205 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.47 154.36 26.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 64.32 110.939 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -109.6 159.29 17.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 72.11 110.862 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.505 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -143.5 138.77 29.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.485 . . . . 73.33 110.896 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 56' ' ' SER . 97.3 t -120.21 142.98 33.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 60.54 111.152 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.604 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.7 tpp -100.84 96.65 7.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 72.04 110.894 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.46 84.58 3.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 72.4 110.812 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 46' ' ' MET . 6.1 mp -78.82 -8.33 58.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 74.54 110.892 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -83.71 -55.92 4.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 64.21 110.88 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -85.75 -3.86 59.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 41.4 110.877 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.7 t 69.44 49.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 71.44 111.136 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -147.84 171.53 15.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 73.31 110.879 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.543 HD21 ' SD ' ' A' ' 46' ' ' MET . 1.4 mp -131.57 100.12 5.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 71.22 110.988 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -98.17 178.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 72.4 111.125 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.505 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 11.0 pm0 -109.71 113.52 26.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 73.52 110.879 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.508 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -167.5 167.14 13.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.889 -179.777 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.9 117.65 23.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 71.22 110.895 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -150.74 164.1 36.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 62.33 110.856 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.64 92.46 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 64.14 111.038 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.24 157.8 16.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 60.25 111.169 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -63.97 -25.17 68.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 63.55 110.905 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.33 123.98 19.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 60.23 111.074 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 54.7 m -100.35 125.27 46.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 73.24 111.136 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.849 HD21 HG22 ' A' ' 99' ' ' ILE . 2.1 mp -124.49 105.89 9.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 42.2 110.951 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.709 HG23 ' HB2' ' A' ' 33' ' ' ARG . 1.2 m -100.35 129.59 46.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 74.44 111.163 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.562 ' HG2' HG21 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -157.35 148.73 21.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.951 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -83.94 166.12 18.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 74.44 110.87 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.455 ' OD2' HD22 ' A' ' 3' ' ' LEU . 0.4 OUTLIER -52.08 -57.07 10.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 75.34 110.905 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -51.22 -36.44 41.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 74.02 110.812 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.562 HG21 ' HG2' ' A' ' 66' ' ' MET . 13.2 mm -67.13 -35.38 74.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 73.31 111.118 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.553 ' C ' HG21 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -64.27 -46.73 82.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 75.0 110.922 179.82 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -73.45 -30.38 63.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 63.32 110.883 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.47 -59.36 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 72.11 111.109 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.462 HD12 HG23 ' A' ' 70' ' ' ILE . 59.5 mt -73.4 -46.27 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 62.02 111.149 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -48.61 -35.93 17.29 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.725 -0.75 . . . . 54.01 112.484 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 66.6 p -88.26 -21.96 24.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 74.33 111.205 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.97 31.87 16.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 72.34 112.516 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.47 -39.97 21.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.339 . . . . 51.42 111.12 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.1 mt -119.19 154.78 53.79 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.577 0.703 . . . . 75.14 110.918 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 121.82 8.51 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.71 2.274 . . . . 72.45 112.355 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.87 -25.69 68.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 35.22 111.074 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -71.16 -51.32 25.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 64.02 110.908 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.58 -45.07 95.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 73.2 110.816 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.66 -51.05 52.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 63.32 111.059 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 10.6 mtm -76.67 -26.47 54.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 72.33 110.878 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.33 -31.75 70.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 44.2 111.132 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -90.68 27.87 1.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 63.45 110.924 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 48.46 28.72 1.79 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 74.43 110.836 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.42 2.05 51.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 64.21 110.918 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.408 ' HG2' ' HG3' ' A' ' 66' ' ' MET . 0.6 OUTLIER -154.35 149.42 26.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 63.1 110.801 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -123.91 108.13 12.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 65.45 110.947 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 64' ' ' LEU . 15.6 m -125.42 144.04 36.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 74.54 111.168 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -132.96 113.2 12.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 71.33 110.82 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.14 168.23 29.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 62.44 112.494 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.408 ' HB2' HD12 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -54.51 114.8 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.861 0.362 . . . . 74.11 110.921 -179.879 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 40.7 t -44.05 -43.51 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 73.33 111.106 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -55.89 -50.17 71.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 74.25 110.89 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.665 HD23 HG11 ' A' ' 26' ' ' VAL . 70.7 mt -48.1 -53.47 16.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 75.13 110.882 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.849 HG22 HD21 ' A' ' 64' ' ' LEU . 36.1 pt -72.45 -20.75 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 70.21 111.115 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -81.57 -18.8 43.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 72.33 110.864 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.0 mt -76.19 -32.59 59.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 65.23 110.978 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.751 HD23 ' HA1' ' A' ' 200' ' ' PLM . 6.2 mp -86.67 -7.74 58.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 74.32 110.928 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.664 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 16.5 mt-10 -63.61 -51.17 68.26 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.65 0.738 . . . . 63.23 110.92 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.664 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.8 Cg_endo -69.73 -8.63 24.1 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.725 2.283 . . . . 73.13 112.335 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -101.05 -15.68 17.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 74.43 110.91 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.407 ' CD1' ' HC2' ' A' ' 200' ' ' PLM . 2.9 mm -44.33 -53.25 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 75.54 111.112 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -70.91 -47.83 56.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 64.22 111.082 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.612 ' O ' ' C ' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -51.47 -44.31 62.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 64.31 110.831 -179.759 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.826 HD21 ' H91' ' A' ' 200' ' ' PLM . 21.1 mt -14.39 94.45 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.185 -0.461 . . . . 61.52 110.903 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 61.55 110.864 179.858 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' PLM . . . . . 0.826 ' H91' HD21 ' A' ' 109' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.808 0.337 . . . . 63.32 110.931 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.3 123.0 35.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 54.23 110.904 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.9 mt -71.24 174.07 6.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 75.02 110.898 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -59.51 3.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 74.23 110.933 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 p -44.36 -31.8 1.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 54.53 110.891 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.97 -50.48 66.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.51 . . . . 71.01 110.9 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -52.01 -38.41 56.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 65.44 110.857 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.574 HG13 ' HA3' ' A' ' 75' ' ' GLY . 57.3 t -51.92 -60.24 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 74.3 111.088 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -47.59 -43.02 25.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 72.03 110.839 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.22 -39.13 85.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 71.4 111.099 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -67.68 -53.6 26.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 75.32 110.906 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.483 HG23 ' C8 ' ' A' ' 200' ' ' PLM . 69.2 mt -55.31 -38.96 49.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 74.53 111.188 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.507 ' HB2' ' HB2' ' A' ' 53' ' ' LEU . . . -71.02 -52.43 19.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 65.53 111.107 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -52.99 -30.42 35.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 74.23 110.871 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.648 ' CB ' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -71.47 -33.07 69.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 74.55 110.849 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.439 ' HB3' HG13 ' A' ' 51' ' ' VAL . 7.5 mt -65.29 -23.75 67.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 71.15 110.854 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -54.36 -21.81 10.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 73.03 110.872 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.11 -27.3 22.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 62.03 110.89 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.812 HG23 ' CZ ' ' A' ' 24' ' ' ARG . 54.1 mt -47.55 104.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 72.51 111.106 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.36 144.36 28.84 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.65 0.738 . . . . 72.22 110.837 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -10.34 28.29 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 73.52 112.347 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.71 -10.43 59.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 74.4 111.115 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.25 103.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 71.22 110.853 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.812 ' CZ ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -118.44 177.03 4.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 73.04 110.856 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -113.06 -42.65 3.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 73.4 110.959 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 p -173.95 142.01 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 62.44 111.075 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -117.02 124.03 48.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 64.43 110.908 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -171.38 179.4 2.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 70.02 110.861 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.5 t -93.08 139.2 18.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 54.23 111.147 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.771 ' CE2' HD13 ' A' ' 64' ' ' LEU . 6.6 t80 -128.33 136.24 50.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 71.04 110.942 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -117.12 142.48 46.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 74.42 110.915 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.473 ' CE2' ' HE1' ' A' ' 46' ' ' MET . 0.1 OUTLIER -121.03 152.55 38.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 73.13 110.901 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.563 ' CD ' HG23 ' A' ' 65' ' ' THR . 1.2 ttt180 -126.12 127.06 45.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 75.14 110.928 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 40.3 mm -115.91 90.71 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 73.2 111.088 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.546 HG22 ' HA ' ' A' ' 40' ' ' VAL . 4.9 p -99.31 170.93 8.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 73.35 111.148 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -138.62 98.16 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 63.41 110.959 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.98 -51.22 1.47 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.787 -0.72 . . . . 64.45 112.461 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.13 -31.82 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.789 -0.719 . . . . 74.12 112.456 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.56 142.08 34.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.342 . . . . 62.52 110.926 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.546 ' HA ' HG22 ' A' ' 35' ' ' THR . 12.1 p -71.62 151.17 8.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 63.31 111.174 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.6 m -124.54 -17.64 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 44.34 111.128 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.22 143.94 1.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 64.32 110.907 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.02 156.53 17.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 72.11 110.893 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.417 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 0.8 OUTLIER -128.78 160.12 33.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.259 -0.428 . . . . 73.33 110.888 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 56' ' ' SER . 28.4 t -132.97 143.11 40.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 60.54 111.173 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.473 ' HE1' ' CE2' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -109.34 104.32 13.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 72.04 110.855 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -81.04 84.59 6.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 72.4 110.922 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.7 mt -78.53 -15.76 58.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.3 -0.409 . . . . 74.54 110.848 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -76.57 -46.14 27.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 64.21 110.938 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.57 -4.24 51.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 41.4 110.861 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.439 HG13 ' HB3' ' A' ' 16' ' ' LEU . 3.7 t 67.73 48.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 71.44 111.105 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -148.45 164.45 34.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 73.31 110.838 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.507 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 1.6 mp -121.08 130.88 53.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 71.22 110.896 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 m -135.23 171.68 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 72.4 111.16 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 44' ' ' TRP . 1.2 pm0 -108.02 114.23 27.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 73.52 110.843 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.699 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -167.67 166.99 13.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 73.41 110.799 -179.759 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.1 117.4 23.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.063 -0.517 . . . . 71.22 110.89 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.06 164.27 38.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 62.33 110.958 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.41 91.39 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 64.14 111.097 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.51 149.97 20.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 60.25 111.126 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -22.06 66.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 63.55 110.889 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.59 124.01 19.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 60.23 111.12 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.6 m -110.66 123.36 49.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 73.24 111.165 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.771 HD13 ' CE2' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -117.87 122.1 42.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 42.2 110.923 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.563 HG23 ' CD ' ' A' ' 33' ' ' ARG . 4.5 m -106.19 126.14 51.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.251 -0.431 . . . . 74.44 111.129 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.487 ' SD ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -155.42 144.74 20.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 74.32 110.838 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -78.88 160.44 27.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 74.44 110.924 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.5 -58.93 3.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.161 -0.472 . . . . 75.34 110.879 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.77 -34.37 27.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 74.02 110.891 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.422 HG21 ' HG2' ' A' ' 66' ' ' MET . 12.0 mm -71.67 -42.4 71.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 73.31 111.125 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.442 ' HG3' HG11 ' A' ' 8' ' ' VAL . 11.3 tpt -52.78 -46.43 67.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 75.0 110.857 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -69.09 -30.43 68.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 63.32 110.866 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.09 -59.53 2.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 72.11 111.108 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.717 ' O ' HG23 ' A' ' 106' ' ' ILE . 41.3 mt -67.38 -47.32 81.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 62.02 111.153 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.574 ' HA3' HG13 ' A' ' 8' ' ' VAL . . . -50.74 -37.62 34.97 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.746 -0.74 . . . . 54.01 112.522 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 65.7 p -90.51 -10.73 42.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 74.33 111.087 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.43 33.78 52.07 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.777 -0.725 . . . . 72.34 112.45 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.56 -39.62 17.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 51.42 111.082 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.0 mt -118.22 150.8 48.3 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 121.657 0.741 . . . . 75.14 110.899 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 122.6 9.3 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.616 2.21 . . . . 72.45 112.391 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.459 ' HB1' ' HE3' ' A' ' 85' ' ' MET . . . -65.04 -27.02 68.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 35.22 111.114 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -53.73 13.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 64.02 110.909 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.6 -44.15 96.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 73.2 110.877 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.97 -51.0 56.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 63.32 111.068 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.459 ' HE3' ' HB1' ' A' ' 81' ' ' ALA . 8.1 mtm -76.85 -26.46 54.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 72.33 110.862 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.32 -31.18 70.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 44.2 111.053 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -89.19 28.41 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 63.45 110.928 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 46.66 28.55 0.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 74.43 110.906 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.63 4.42 51.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 64.21 110.926 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.4 ' HG2' ' HG3' ' A' ' 66' ' ' MET . 0.1 OUTLIER -160.63 147.98 15.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 63.1 110.901 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -121.44 108.37 13.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 65.45 110.797 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 90.1 t -111.78 143.05 22.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 74.54 111.17 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -131.63 113.27 13.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 71.33 110.841 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.77 167.37 27.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.779 -0.724 . . . . 62.44 112.542 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.767 ' HB2' HD12 ' A' ' 98' ' ' LEU . 1.5 tp60 -56.33 120.98 8.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 74.11 110.902 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 87.9 t -43.12 -53.45 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 73.33 111.121 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.87 -49.18 76.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 74.25 110.871 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.767 HD12 ' HB2' ' A' ' 95' ' ' GLN . 2.1 mt -48.37 -54.04 15.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 75.13 110.916 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.542 HG22 HD11 ' A' ' 64' ' ' LEU . 30.8 pt -71.87 -23.8 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 70.21 111.113 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -75.26 -12.84 60.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.463 . . . . 72.33 110.877 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 44.2 mt -75.7 -32.43 60.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 65.23 110.925 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.49 HD11 ' H52' ' A' ' 200' ' ' PLM . 6.1 mp -88.15 -7.73 56.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 74.32 110.885 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.683 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 18.1 mt-10 -64.65 -48.97 72.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.722 0.773 . . . . 63.23 110.913 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.683 ' HD2' ' N ' ' A' ' 103' ' ' GLU . 53.6 Cg_endo -69.82 -8.0 22.51 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.662 2.241 . . . . 73.13 112.305 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -101.29 -17.07 16.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 74.43 110.918 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.717 HG23 ' O ' ' A' ' 74' ' ' ILE . 30.7 mt -55.14 -53.14 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 75.54 111.081 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -94.01 24.35 4.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 64.22 111.044 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.8 t -104.03 -50.47 3.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 64.31 110.892 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.648 HD23 ' CB ' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -82.8 93.41 7.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 61.52 110.843 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.5 tttm . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 61.55 110.884 179.83 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' PLM . . . . . 0.709 ' HE1' HD11 ' A' ' 106' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_